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

Systemtic Name: 2-[(E)-3-(phenylmethylsulfanyl)prop-1-enyl]benzoic acid Openeye Name: 2-[(E)-3-benzylsulfanylprop-1-enyl]benzoic acid CAS Name: 2-[(E)-3-(phenylmethylthio)prop-1-enyl]benzoic acid IUPAC Name: 2-[(E)-3-benzylsulfanylprop-1-enyl]benzoic acid Traditional Name: 2-[(E)-3-(benzylthio)prop-1-enyl]benzoic acid Formula: C17H16O2S MolecularWeight: 284.37274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC=CC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC/C=C/C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H16O2S/c18-17(19)16-11-5-4-9-15(16)10-6-12-20-13-14-7-2-1-3-8-14/h1-11H,12-13H2,(H,18,19)/b10-6+