(E)-3-[4-methoxy-3-[(phenylmethylsulfanyl)methyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-methoxy-3-[(phenylmethylsulfanyl)methyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(benzylsulfanylmethyl)-4-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-methoxy-3-[(phenylmethylthio)methyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(benzylsulfanylmethyl)-4-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[(benzylthio)methyl]-4-methoxy-phenyl]acrylic acid Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)O)CSCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)O)CSCC2=CC=CC=C2

InChI

InChI=1S/C18H18O3S/c1-21-17-9-7-14(8-10-18(19)20)11-16(17)13-22-12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,19,20)/b10-8+