2-azanyl-5-[(E)-2-(4-azanyl-5-sulfo-cyclohexa-2,4-dien-1-yl)ethenyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[(E)-2-(4-azanyl-5-sulfo-cyclohexa-2,4-dien-1-yl)ethenyl]benzenesulfonic acid Openeye Name: 2-amino-5-[(E)-2-(4-amino-5-sulfo-cyclohexa-2,4-dien-1-yl)vinyl]benzenesulfonic acid CAS Name: 2-amino-5-[(E)-2-(4-amino-5-sulfo-1-cyclohexa-2,4-dienyl)ethenyl]benzenesulfonic acid IUPAC Name: 2-amino-5-[(E)-2-(4-amino-5-sulfocyclohexa-2,4-dien-1-yl)ethenyl]benzenesulfonic acid Traditional Name: 2-amino-5-[(E)-2-(4-amino-5-sulfo-cyclohexa-2,4-dien-1-yl)vinyl]besylic acid Formula: C14H16N2O6S2 MolecularWeight: 372.41664

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC(=C1S(=O)(=O)O)N)C=CC2=CC(=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

C1C(C=CC(=C1S(=O)(=O)O)N)/C=C/C2=CC(=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C14H16N2O6S2/c15-11-5-3-9(7-13(11)23(17,18)19)1-2-10-4-6-12(16)14(8-10)24(20,21)22/h1-7,10H,8,15-16H2,(H,17,18,19)(H,20,21,22)/b2-1+