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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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