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

Systemtic Name: (E)-3-phenyl-3-(phenylmethylsulfanyl)prop-2-enoic acid Openeye Name: (E)-3-benzylsulfanyl-3-phenyl-prop-2-enoic acid CAS Name: (E)-3-phenyl-3-(phenylmethylthio)-2-propenoic acid IUPAC Name: (E)-3-benzylsulfanyl-3-phenylprop-2-enoic acid Traditional Name: (E)-3-(benzylthio)-3-phenyl-acrylic acid Formula: C16H14O2S MolecularWeight: 270.34616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CS/C(=C/C(=O)O)/C2=CC=CC=C2

InChI

InChI=1S/C16H14O2S/c17-16(18)11-15(14-9-5-2-6-10-14)19-12-13-7-3-1-4-8-13/h1-11H,12H2,(H,17,18)/b15-11+