(E)-2-methyl-3-(phenylmethylsulfanyl)prop-2-enoic acid

Systemtic Name: (E)-2-methyl-3-(phenylmethylsulfanyl)prop-2-enoic acid Openeye Name: (E)-3-benzylsulfanyl-2-methyl-prop-2-enoic acid CAS Name: (E)-2-methyl-3-(phenylmethylthio)-2-propenoic acid IUPAC Name: (E)-3-benzylsulfanyl-2-methylprop-2-enoic acid Traditional Name: (E)-3-(benzylthio)-2-methyl-acrylic acid Formula: C11H12O2S MolecularWeight: 208.27678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CSCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

C/C(=C\SCC1=CC=CC=C1)/C(=O)O

InChI

InChI=1S/C11H12O2S/c1-9(11(12)13)7-14-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,12,13)/b9-7+