2-methoxy-6-[(E)-3-(phenylmethylsulfanyl)prop-1-enyl]benzoic acid

Systemtic Name: 2-methoxy-6-[(E)-3-(phenylmethylsulfanyl)prop-1-enyl]benzoic acid Openeye Name: 2-[(E)-3-benzylsulfanylprop-1-enyl]-6-methoxy-benzoic acid CAS Name: 2-methoxy-6-[(E)-3-(phenylmethylthio)prop-1-enyl]benzoic acid IUPAC Name: 2-[(E)-3-benzylsulfanylprop-1-enyl]-6-methoxybenzoic acid Traditional Name: 2-[(E)-3-(benzylthio)prop-1-enyl]-6-methoxy-benzoic acid Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C(=O)O)C=CCSCC2=CC=CC=C2

Isomeric SMILES

COC1=CC=CC(=C1C(=O)O)/C=C/CSCC2=CC=CC=C2

InChI

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