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Reference substances

Reference substances

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General information

Inventory

EC number:
220-036-2
EC name:
Trisodium 1-(1-naphthylazo)-2-hydroxynaphthalene-4',6,8-trisulphonate
CAS number:
2611-82-7

No inventory information available

Reference substance information

IUPAC name:
trisodium (8Z)-7-oxo-8-[2-(4-sulfonatonaphthalen-1-yl)hydrazin-1-ylidene]-7,8-dihydronaphthalene-1,3-disulfonate
Synonyms
Names:
1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-?(4-sulfo-1-naphthalenyl)azo?-, trisodium salt
1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[(4-sulfo-1-naphthalenyl)azo]-, trisodium salt
Identifier:
CAS number
2611-82-7
Identifier:
IUPAC name
trisodium (8Z)-7-oxo-8-[2-(4-sulfonatonaphthalen-1-yl)hydrazin-1- ylidene]-7,8-dihydronaphthalene-1,3-disulfonate
Identifier:
IUPAC name
1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt
Identifier:
IUPAC name
trisodium (8Z)-7-oxo-8-[2-(4-sulfonatonaphthalen-1-yl)hydrazin-1-ylidene]-7,8-dihydronaphthalene-1,3-disulfonate
Identifier:
IUPAC name
trisodium (8Z)-7-oxo-8-[2-(4-sulfonatonaphthalen-1-yl)hydrazin-1-ylidene]-7,8-dihydronaphthalene-1,3-disulfonate
Identifier:
IUPAC name
trisodium 7-hydroxy-8-[(4-sulfonato-1-naphthyl)diazenyl]naphthalene-1,3-disulfonate
Identifier:
IUPAC name
trisodium 7-hydroxy-8-[(E)-2-(4-sulfonaphthalen-1-yl)diazen-1-yl]naphthalene-1,3-disulfonate
Identifier:
other: InChl
InChI=1S/C20H14N2O10S3.3Na/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3
Identifier:
other: SMILES notation
[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4ccc(/N=N/c1c2c(ccc1O)cc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c3ccccc34
Identifier:
other: Molecular formula
C20H14N2O10S3.3Na
Identifier:
other: InChl
InChI=1/C20H14N2O10S3.3Na/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3
Identifier:
other: InChl
InChI=1S/C20H14N2O10S3.3Na/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15;;;/h1-10,21H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b22-20+;;; AuxInfo=1/1/N:34,33,27,28,7,31,12,32,8,10,5,11,25,26,30,13,29,9,4,6,24,23,22,19,20,21,36,37,38,15,16,17,18,35,14;1;2;3/E:(24,25,26)(27,28,29)(30,31,32);;;/CRV:33.6,34.6,35.6;;;/rA:38Na+Na+Na+CCCCCCCCCCSOO-OSOO-OONNCCCCCCCCCCSOOO-/rB:;;;d-4;s4;s5;s5;s4;d-9;d-8s10;d-7;s6s12;s9;d14;s14;d14;s11;d18;s18;d18;d13;d+6;s23;;s25;s25;s26;d-26;s24d+25;s30;s29d-31;d-28;d-27s33;s29;d35;d35;s35;/rC:0,-7.3129,0;3.1444,-7.3129,0;6.2158,-7.3129,0;13.4555,-10.8229,0;13.4555,-12.3586,0;12.1393,-10.0916,0;12.1393,-13.163,0;14.7719,-13.163,0;14.7719,-10.0916,0;16.1612,-10.8229,0;16.1612,-12.3586,0;10.7498,-12.3586,0;10.7498,-10.8229,0;14.7719,-8.5561,0;16.4537,-8.4829,0;14.7719,-7.0203,0;13.2362,-8.5561,0;17.4776,-13.163,0;16.5999,-14.6255,0;18.7938,-13.8942,0;18.2088,-11.8466,0;9.4334,-10.0916,0;12.1393,-8.5561,0;10.8229,-7.7515,0;12.0661,-5.4115,0;12.0661,-3.8758,0;13.4555,-6.2158,0;13.4555,-3.1444,0;10.8229,-3.0714,0;10.8229,-6.2158,0;9.4334,-5.4115,0;9.5066,-3.8758,0;14.8449,-3.8758,0;14.7719,-5.4115,0;10.8229,-1.5357,0;9.2872,-1.5357,0;12.3586,-1.6087,0;10.8961,0,0;
Identifier:
other: InChl
InChI=1S/C20H14N2O10S3.3Na/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b22-21+;;;
Identifier:
other: SMILES notation
[Na+].[Na+].[Na+].Oc1ccc2cc(cc(c2c1N=Nc3ccc(c4ccccc34)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]
Identifier:
other: SMILES notation
[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc2C=CC(=O)\C(=N/Nc3ccc(c4ccccc34)S([O-])(=O)=O)c2c(c1)S([O-])(=O)=O
Identifier:
other: SMILES notation
[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4ccc(/N=N/c2c(O)ccc1cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)c3ccccc34
1,3-naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt

CAS information

CAS number:
2611-82-7

Molecular and structural information

Molecular formula:
C20H11N2O10S3.3Na
Molecular weight:
ca. 604.47
SMILES notation:
[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4ccc(/N=N/c1c2c(ccc1O)cc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c3ccccc34
InChl:
InChI=1S/C20H14N2O10S3.3Na/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3
Structural formula:
Chemical structure