4-(phenylmethyl)-3-propylsulfanyl-benzoic acid

Systemtic Name: 4-(phenylmethyl)-3-propylsulfanyl-benzoic acid Openeye Name: 4-benzyl-3-propylsulfanyl-benzoic acid CAS Name: 4-(phenylmethyl)-3-(propylthio)benzoic acid IUPAC Name: 4-benzyl-3-propylsulfanylbenzoic acid Traditional Name: 4-benzyl-3-(propylthio)benzoic acid Formula: C17H18O2S MolecularWeight: 286.38862

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=C1)C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CCCSC1=C(C=CC(=C1)C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C17H18O2S/c1-2-10-20-16-12-15(17(18)19)9-8-14(16)11-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,18,19)