2-azanyl-5-[(1-sulfocyclohexa-2,4-dien-1-yl)diazenyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[(1-sulfocyclohexa-2,4-dien-1-yl)diazenyl]benzenesulfonic acid Openeye Name: 2-amino-5-(1-sulfocyclohexa-2,4-dien-1-yl)azo-benzenesulfonic acid CAS Name: 2-amino-5-[(1-sulfo-1-cyclohexa-2,4-dienyl)azo]benzenesulfonic acid IUPAC Name: 2-amino-5-[(1-sulfocyclohexa-2,4-dien-1-yl)diazenyl]benzenesulfonic acid Traditional Name: 2-amino-5-(1-sulfocyclohexa-2,4-dien-1-yl)azo-besylic acid Formula: C12H13N3O6S2 MolecularWeight: 359.37812

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1(N=NC2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1C=CC=CC1(N=NC2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H13N3O6S2/c13-10-5-4-9(8-11(10)22(16,17)18)14-15-12(23(19,20)21)6-2-1-3-7-12/h1-6,8H,7,13H2,(H,16,17,18)(H,19,20,21)