2-methylsulfanyl-5-(3-phenylpropyl)benzoic acid

Systemtic Name: 2-methylsulfanyl-5-(3-phenylpropyl)benzoic acid Openeye Name: 2-methylsulfanyl-5-(3-phenylpropyl)benzoic acid CAS Name: 2-(methylthio)-5-(3-phenylpropyl)benzoic acid IUPAC Name: 2-methylsulfanyl-5-(3-phenylpropyl)benzoic acid Traditional Name: 2-(methylthio)-5-(3-phenylpropyl)benzoic acid Formula: C17H18O2S MolecularWeight: 286.38862

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)CCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CSC1=C(C=C(C=C1)CCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H18O2S/c1-20-16-11-10-14(12-15(16)17(18)19)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,18,19)