3-methoxy-2-[2-(2-methylpropyl)phenyl]-2-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 3-methoxy-2-[2-(2-methylpropyl)phenyl]-2-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-benzylsulfanyl-2-(2-isobutylphenyl)-3-methoxy-propanoic acid CAS Name: 3-methoxy-2-[2-(2-methylpropyl)phenyl]-2-(phenylmethylthio)propanoic acid IUPAC Name: 2-benzylsulfanyl-3-methoxy-2-[2-(2-methylpropyl)phenyl]propanoic acid Traditional Name: 2-(benzylthio)-2-(2-isobutylphenyl)-3-methoxy-propionic acid Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=CC=C1C(COC)(C(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC1=CC=CC=C1C(COC)(C(=O)O)SCC2=CC=CC=C2

InChI

InChI=1S/C21H26O3S/c1-16(2)13-18-11-7-8-12-19(18)21(15-24-3,20(22)23)25-14-17-9-5-4-6-10-17/h4-12,16H,13-15H2,1-3H3,(H,22,23)