3-(3-phenylpropylsulfanyl)benzoic acid

Systemtic Name: 3-(3-phenylpropylsulfanyl)benzoic acid Openeye Name: 3-(3-phenylpropylsulfanyl)benzoic acid CAS Name: 3-(3-phenylpropylthio)benzoic acid IUPAC Name: 3-(3-phenylpropylsulfanyl)benzoic acid Traditional Name: 3-(3-phenylpropylthio)benzoic acid Formula: C16H16O2S MolecularWeight: 272.36204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCSC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H16O2S/c17-16(18)14-9-4-10-15(12-14)19-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12H,5,8,11H2,(H,17,18)