(E)-3-(4-pentylsulfanylphenyl)prop-2-enoate

Systemtic Name: (E)-3-(4-pentylsulfanylphenyl)prop-2-enoate Openeye Name: (E)-3-(4-pentylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(pentylthio)phenyl]-2-propenoate IUPAC Name: (E)-3-(4-pentylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(amylthio)phenyl]acrylate Formula: C14H17O2S- MolecularWeight: 249.34858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC=C(C=C1)C=CC(=O)[O-]

Isomeric SMILES

CCCCCSC1=CC=C(C=C1)/C=C/C(=O)[O-]

InChI

InChI=1S/C14H18O2S/c1-2-3-4-11-17-13-8-5-12(6-9-13)7-10-14(15)16/h5-10H,2-4,11H2,1H3,(H,15,16)/p-1/b10-7+