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Reference substances

Reference substances

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General information

Inventory

EC number:
201-719-4
EC name:
4,4'-dihydroxy-7,7'-iminodi(naphthalene-2-sulphonic acid)
CAS number:
87-03-6

No inventory information available

Reference substance information

IUPAC name:
4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid
Synonyms
Names:
Identifier:
IUPAC name
4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid
Identifier:
other: InChl
1S/C20H15NO8S2/c22-19-9-15(30(24,25)26)7-11-5-13(1-3-17(11)19)21-14-2-4-18-12(6-14)8-16(10-20(18)23)31(27,28)29/h1-10,21-23H,(H,24,25,26)(H,27,28,29)
Identifier:
other: SMILES notation
O=S(=O)(O)c1cc(O)c2c(cc(Nc3ccc4c(cc(S(=O)(=O)O)cc4O)c3)cc2)c1
4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid

CAS information

CAS number:
87-03-6

Molecular and structural information

Molecular formula:
C20H15NO8S2
Molecular weight:
461.47
SMILES notation:
O=S(=O)(O)c1cc(O)c2c(cc(Nc3ccc4c(cc(S(=O)(=O)O)cc4O)c3)cc2)c1
InChl:
1S/C20H15NO8S2/c22-19-9-15(30(24,25)26)7-11-5-13(1-3-17(11)19)21-14-2-4-18-12(6-14)8-16(10-20(18)23)31(27,28)29/h1-10,21-23H,(H,24,25,26)(H,27,28,29)
Structural formula:
Chemical structure