4-phenyl-3-propylsulfanyl-benzoic acid

Systemtic Name: 4-phenyl-3-propylsulfanyl-benzoic acid Openeye Name: 4-phenyl-3-propylsulfanyl-benzoic acid CAS Name: 4-phenyl-3-(propylthio)benzoic acid IUPAC Name: 4-phenyl-3-propylsulfanylbenzoic acid Traditional Name: 4-phenyl-3-(propylthio)benzoic acid Formula: C16H16O2S MolecularWeight: 272.36204

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCSC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H16O2S/c1-2-10-19-15-11-13(16(17)18)8-9-14(15)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,17,18)