2-(3-phenylpropylsulfanyl)benzoic acid

Systemtic Name: 2-(3-phenylpropylsulfanyl)benzoic acid Openeye Name: 2-(3-phenylpropylsulfanyl)benzoic acid CAS Name: 2-(3-phenylpropylthio)benzoic acid IUPAC Name: 2-(3-phenylpropylsulfanyl)benzoic acid Traditional Name: 2-(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=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCSC2=CC=CC=C2C(=O)O

InChI

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