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

Systemtic Name: 2-oxidanyl-4-[(5-sulfocyclohexa-1,5-dien-1-yl)amino]benzenesulfonic acid Openeye Name: 2-hydroxy-4-[(5-sulfocyclohexa-1,5-dien-1-yl)amino]benzenesulfonic acid CAS Name: 2-hydroxy-4-[(5-sulfo-1-cyclohexa-1,5-dienyl)amino]benzenesulfonic acid IUPAC Name: 2-hydroxy-4-[(5-sulfocyclohexa-1,5-dien-1-yl)amino]benzenesulfonic acid Traditional Name: 2-hydroxy-4-[(5-sulfocyclohexa-1,5-dien-1-yl)amino]besylic acid Formula: C12H13NO7S2 MolecularWeight: 347.36412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO7S2/c14-11-7-9(4-5-12(11)22(18,19)20)13-8-2-1-3-10(6-8)21(15,16)17/h2,4-7,13-14H,1,3H2,(H,15,16,17)(H,18,19,20)