2-[(4Z)-5-oxidanylidene-4-[(3-phenoxyphenyl)methylidene]-2-phenyl-imidazol-1-yl]-4-sulfo-benzoic acid

Systemtic Name: 2-[(4Z)-5-oxidanylidene-4-[(3-phenoxyphenyl)methylidene]-2-phenyl-imidazol-1-yl]-4-sulfo-benzoic acid Openeye Name: 2-[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylene]-2-phenyl-imidazol-1-yl]-4-sulfo-benzoic acid CAS Name: 2-[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenyl-1-imidazolyl]-4-sulfobenzoic acid IUPAC Name: 2-[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]-4-sulfobenzoic acid Traditional Name: 2-[(4Z)-5-keto-4-(3-phenoxybenzylidene)-2-phenyl-2-imidazolin-1-yl]-4-sulfo-benzoic acid Formula: C29H20N2O7S MolecularWeight: 540.5433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N2C5=C(C=CC(=C5)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=N/C(=C\C3=CC(=CC=C3)OC4=CC=CC=C4)/C(=O)N2C5=C(C=CC(=C5)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C29H20N2O7S/c32-28-25(17-19-8-7-13-22(16-19)38-21-11-5-2-6-12-21)30-27(20-9-3-1-4-10-20)31(28)26-18-23(39(35,36)37)14-15-24(26)29(33)34/h1-18H,(H,33,34)(H,35,36,37)/b25-17-