3,5-bis(azanyl)-2-[(4,8-disulfonaphthalen-2-yl)diazenyl]benzoic acid

Systemtic Name: 3,5-bis(azanyl)-2-[(4,8-disulfonaphthalen-2-yl)diazenyl]benzoic acid Openeye Name: 3,5-diamino-2-[(4,8-disulfo-2-naphthyl)azo]benzoic acid CAS Name: 3,5-diamino-2-[(4,8-disulfo-2-naphthalenyl)azo]benzoic acid IUPAC Name: 3,5-diamino-2-[(4,8-disulfonaphthalen-2-yl)diazenyl]benzoic acid Traditional Name: 3,5-diamino-2-[(4,8-disulfo-2-naphthyl)azo]benzoic acid Formula: C17H14N4O8S2 MolecularWeight: 466.44506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)N=NC3=C(C=C(C=C3C(=O)O)N)N)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)N=NC3=C(C=C(C=C3C(=O)O)N)N)S(=O)(=O)O

InChI

InChI=1S/C17H14N4O8S2/c18-8-4-12(17(22)23)16(13(19)5-8)21-20-9-6-11-10(15(7-9)31(27,28)29)2-1-3-14(11)30(24,25)26/h1-7H,18-19H2,(H,22,23)(H,24,25,26)(H,27,28,29)