2-[(4-methoxyphenyl)sulfanylmethyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfanylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-(4-methoxyphenyl)sulfanyl-propanoic acid CAS Name: 2-[[(4-methoxyphenyl)thio]methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(4-methoxyphenyl)sulfanylpropanoic acid Traditional Name: 2-benzyl-3-[(4-methoxyphenyl)thio]propionic acid Formula: C17H18O3S MolecularWeight: 302.38802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)SCC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H18O3S/c1-20-15-7-9-16(10-8-15)21-12-14(17(18)19)11-13-5-3-2-4-6-13/h2-10,14H,11-12H2,1H3,(H,18,19)