2-[(phenylmethylsulfanyl)methyl]prop-2-enoic acid

Systemtic Name: 2-[(phenylmethylsulfanyl)methyl]prop-2-enoic acid Openeye Name: 2-(benzylsulfanylmethyl)prop-2-enoic acid CAS Name: 2-[(phenylmethylthio)methyl]-2-propenoic acid IUPAC Name: 2-(benzylsulfanylmethyl)prop-2-enoic acid Traditional Name: 2-[(benzylthio)methyl]acrylic acid Formula: C11H12O2S MolecularWeight: 208.27678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=C(CSCC1=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/h2-6H,1,7-8H2,(H,12,13)