3,5-bis(azanyl)-2-[(1,5-disulfonaphthalen-2-yl)diazenyl]benzoic acid

Systemtic Name: 3,5-bis(azanyl)-2-[(1,5-disulfonaphthalen-2-yl)diazenyl]benzoic acid Openeye Name: 3,5-diamino-2-[(1,5-disulfo-2-naphthyl)azo]benzoic acid CAS Name: 3,5-diamino-2-[(1,5-disulfo-2-naphthalenyl)azo]benzoic acid IUPAC Name: 3,5-diamino-2-[(1,5-disulfonaphthalen-2-yl)diazenyl]benzoic acid Traditional Name: 3,5-diamino-2-[(1,5-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=CC(=C2S(=O)(=O)O)N=NC3=C(C=C(C=C3C(=O)O)N)N)C(=C1)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2S(=O)(=O)O)N=NC3=C(C=C(C=C3C(=O)O)N)N)C(=C1)S(=O)(=O)O

InChI

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