2-(4-cyanophenyl)sulfanyl-7-phenyl-heptanoic acid

Systemtic Name: 2-(4-cyanophenyl)sulfanyl-7-phenyl-heptanoic acid Openeye Name: 2-(4-cyanophenyl)sulfanyl-7-phenyl-heptanoic acid CAS Name: 2-[(4-cyanophenyl)thio]-7-phenylheptanoic acid IUPAC Name: 2-(4-cyanophenyl)sulfanyl-7-phenylheptanoic acid Traditional Name: 2-[(4-cyanophenyl)thio]-7-phenyl-enanthic acid Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCC(C(=O)O)SC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCCCCC(C(=O)O)SC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H21NO2S/c21-15-17-11-13-18(14-12-17)24-19(20(22)23)10-6-2-5-9-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,19H,2,5-6,9-10H2,(H,22,23)