4-oxidanylidene-4-(4-phenylphenyl)-3-thiocyanato-butanoic acid

Systemtic Name: 4-oxidanylidene-4-(4-phenylphenyl)-3-thiocyanato-butanoic acid Openeye Name: 4-oxo-4-(4-phenylphenyl)-3-thiocyanato-butanoic acid CAS Name: 4-oxo-4-(4-phenylphenyl)-3-thiocyanatobutanoic acid IUPAC Name: 4-oxo-4-(4-phenylphenyl)-3-thiocyanatobutanoic acid Traditional Name: 4-keto-4-(4-phenylphenyl)-3-thiocyanato-butyric acid Formula: C17H13NO3S MolecularWeight: 311.35502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C(CC(=O)O)SC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C(CC(=O)O)SC#N

InChI

InChI=1S/C17H13NO3S/c18-11-22-15(10-16(19)20)17(21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10H2,(H,19,20)