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

Systemtic Name: 2-[(4Z)-5-oxidanylidene-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]-4-sulfo-benzoic acid Openeye Name: 2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylene]imidazol-1-yl]-4-sulfo-benzoic acid CAS Name: 2-[(4Z)-4-[(2-mercaptophenyl)methylidene]-5-oxo-2-phenyl-1-imidazolyl]-4-sulfobenzoic acid IUPAC Name: 2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]-4-sulfobenzoic acid Traditional Name: 2-[(4Z)-5-keto-4-(2-mercaptobenzylidene)-2-phenyl-2-imidazolin-1-yl]-4-sulfo-benzoic acid Formula: C23H16N2O6S2 MolecularWeight: 480.51294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3S)C(=O)N2C4=C(C=CC(=C4)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=N/C(=C\C3=CC=CC=C3S)/C(=O)N2C4=C(C=CC(=C4)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C23H16N2O6S2/c26-22-18(12-15-8-4-5-9-20(15)32)24-21(14-6-2-1-3-7-14)25(22)19-13-16(33(29,30)31)10-11-17(19)23(27)28/h1-13,32H,(H,27,28)(H,29,30,31)/b18-12-