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Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
copper(2+) trisodium 2-[(1Z)-2-{4-[(1E)-2-(4,8-disulfonatonaphthalen-2-yl)diazen-1-yl]-5-methyl-2-oxidophenyl}diazen-1-yl]-6-(phenylamino)-3-sulfonatonaphthalen-1-olate

Inventory

CAS number:
76359-37-0
Synonyms
Names:
Direct Blue 273
Identifier:
IUPAC name
Not available
Identifier:
other: SMILES notation
891.25Cc1cc2N=Nc3c(O[Cu]Oc2cc1N=Nc4cc(c5cccc(c5c4)S(=O)(=O)O[Na])S(=O)(=O)O[Na])c6ccc(Nc7ccccc7)cc6cc3S(=O)(=O)O[Na]
Identifier:
other: Molecular formula
C33H20CuN5O11S3*3Na
Identifier:
other: InChl
InChI=1S/C33H25N5O11S3.Cu.3Na/c1-18-12-27(28(39)17-26(18)36-35-22-15-25-24(30(16-22)51(44,45)46)8-5-9-29(25)50(41,42)43)37-38-32-31(52(47,48)49)14-19-13-21(10-11-23(19)33(32)40)34-20-6-3-2-4-7-20;;;;/h2-17,34,39-40H,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;;/q;+2;3*+1/p-5/b36-35+,38-37+;;;;
Identifier:
other: SMILES notation
Not available
Identifier:
other: InChl
Not available
Cuprate(3-), [3-[2-[5-(hydroxy-κO)-4-[2-[1-(hydroxy-κO)-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl-κN1]-2-methylphenyl]diazenyl]-1,5-naphthalenedisulfonato(5-)]-, sodium (1:3)

Molecular and structural information

Molecular formula:
C33H20CuN5Na3O11S3
Molecular weight:
891.26
SMILES notation:
CC1=CC(=C(C=C1N=NC2=CC3=C(C=CC=C3S(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-])[O-])N=NC4=C(C=C5C=C(C=CC5=C4[O-])NC6=CC=CC=C6)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2]
InChl:
InChI=1S/C33H25N5O11S3.Cu.3Na/c1-18-12-27(28(39)17-26(18)36-35-22-15-25-24(30(16-22)51(44,45)46)8-5-9-29(25)50(41,42)43)37-38-32-31(52(47,48)49)14-19-13-21(10-11-23(19)33(32)40)34-20-6-3-2-4-7-20;;;;/h2-17,34,39-40H,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;;/q;+2;3*+1/p-5
Structural formula:
Chemical structure

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