sodium 5-[(4-azanyl-7-sulfo-naphthalen-1-yl)diazenyl]-8-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate

Systemtic Name: sodium 5-[(4-azanyl-7-sulfo-naphthalen-1-yl)diazenyl]-8-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate Openeye Name: sodium 5-[(4-amino-7-sulfo-1-naphthyl)azo]-8-[(4-sulfo-1-naphthyl)azo]naphthalene-2-sulfonate CAS Name: sodium 5-[(4-amino-7-sulfo-1-naphthalenyl)azo]-8-[(4-sulfo-1-naphthalenyl)azo]-2-naphthalenesulfonate IUPAC Name: sodium 5-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]-8-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate Traditional Name: sodium 5-[(4-amino-7-sulfo-1-naphthyl)azo]-8-[(4-sulfo-1-naphthyl)azo]naphthalene-2-sulfonate Formula: C30H20N5NaO9S3 MolecularWeight: 713.69267

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=C6C=C(C=CC6=C(C=C5)N)S(=O)(=O)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=C6C=C(C=CC6=C(C=C5)N)S(=O)(=O)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C30H21N5O9S3.Na/c31-25-9-10-28(23-15-17(45(36,37)38)5-7-19(23)25)34-32-26-11-12-29(24-16-18(46(39,40)41)6-8-21(24)26)35-33-27-13-14-30(47(42,43)44)22-4-2-1-3-20(22)27;/h1-16H,31H2,(H,36,37,38)(H,39,40,41)(H,42,43,44);/q;+1/p-1