(E)-2-cyano-3-(4-decylsulfanylphenyl)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(4-decylsulfanylphenyl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(4-decylsulfanylphenyl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-[4-(decylthio)phenyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(4-decylsulfanylphenyl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[4-(decylthio)phenyl]acrylic acid Formula: C20H27NO2S MolecularWeight: 345.49888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=CC=C(C=C1)C=C(C#N)C(=O)O

Isomeric SMILES

CCCCCCCCCCSC1=CC=C(C=C1)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C20H27NO2S/c1-2-3-4-5-6-7-8-9-14-24-19-12-10-17(11-13-19)15-18(16-21)20(22)23/h10-13,15H,2-9,14H2,1H3,(H,22,23)/b18-15+