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

Systemtic Name: 2-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-5-oxidanylidene-2-phenyl-imidazol-1-yl]-4-sulfo-benzoic acid Openeye Name: 2-[(4Z)-4-[(4-dimethylaminophenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-4-sulfo-benzoic acid CAS Name: 2-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-5-oxo-2-phenyl-1-imidazolyl]-4-sulfobenzoic acid IUPAC Name: 2-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-4-sulfobenzoic acid Traditional Name: 2-[(4Z)-4-[4-(dimethylamino)benzylidene]-5-keto-2-phenyl-2-imidazolin-1-yl]-4-sulfo-benzoic acid Formula: C25H21N3O6S MolecularWeight: 491.51574

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C25H21N3O6S/c1-27(2)18-10-8-16(9-11-18)14-21-24(29)28(23(26-21)17-6-4-3-5-7-17)22-15-19(35(32,33)34)12-13-20(22)25(30)31/h3-15H,1-2H3,(H,30,31)(H,32,33,34)/b21-14-