3-oxidanylidene-6-[[4-[(3-sulfophenyl)methylamino]phenyl]methylidene]cyclohexa-1,4-diene-1-sulfonic acid

Systemtic Name: 3-oxidanylidene-6-[[4-[(3-sulfophenyl)methylamino]phenyl]methylidene]cyclohexa-1,4-diene-1-sulfonic acid Openeye Name: 3-oxo-6-[[4-[(3-sulfophenyl)methylamino]phenyl]methylene]cyclohexa-1,4-diene-1-sulfonic acid CAS Name: 3-oxo-6-[[4-[(3-sulfophenyl)methylamino]phenyl]methylidene]-1-cyclohexa-1,4-dienesulfonic acid IUPAC Name: 3-oxo-6-[[4-[(3-sulfophenyl)methylamino]phenyl]methylidene]cyclohexa-1,4-diene-1-sulfonic acid Traditional Name: 3-keto-6-[4-[(3-sulfobenzyl)amino]benzylidene]cyclohexa-1,4-diene-1-sulfonic acid Formula: C20H17NO7S2 MolecularWeight: 447.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)CNC2=CC=C(C=C2)C=C3C=CC(=O)C=C3S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)CNC2=CC=C(C=C2)C=C3C=CC(=O)C=C3S(=O)(=O)O

InChI

InChI=1S/C20H17NO7S2/c22-18-9-6-16(20(12-18)30(26,27)28)10-14-4-7-17(8-5-14)21-13-15-2-1-3-19(11-15)29(23,24)25/h1-12,21H,13H2,(H,23,24,25)(H,26,27,28)