4-(4-phenylphenyl)-2-thiocyanato-butanoic acid

Systemtic Name: 4-(4-phenylphenyl)-2-thiocyanato-butanoic acid Openeye Name: 4-(4-phenylphenyl)-2-thiocyanato-butanoic acid CAS Name: 4-(4-phenylphenyl)-2-thiocyanatobutanoic acid IUPAC Name: 4-(4-phenylphenyl)-2-thiocyanatobutanoic acid Traditional Name: 4-(4-phenylphenyl)-2-thiocyanato-butyric acid Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO2S/c18-12-21-16(17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16H,8,11H2,(H,19,20)