2-azanyl-4-[(6-sulfocyclohexa-1,5-dien-1-yl)amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[(6-sulfocyclohexa-1,5-dien-1-yl)amino]benzenesulfonic acid Openeye Name: 2-amino-4-[(6-sulfocyclohexa-1,5-dien-1-yl)amino]benzenesulfonic acid CAS Name: 2-amino-4-[(6-sulfo-1-cyclohexa-1,5-dienyl)amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[(6-sulfocyclohexa-1,5-dien-1-yl)amino]benzenesulfonic acid Traditional Name: 2-amino-4-[(6-sulfocyclohexa-1,5-dien-1-yl)amino]besylic acid Formula: C12H14N2O6S2 MolecularWeight: 346.37936

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C(=C1)NC2=CC(=C(C=C2)S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

C1CC=C(C(=C1)NC2=CC(=C(C=C2)S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C12H14N2O6S2/c13-9-7-8(5-6-11(9)21(15,16)17)14-10-3-1-2-4-12(10)22(18,19)20/h3-7,14H,1-2,13H2,(H,15,16,17)(H,18,19,20)