(E)-3-(5-hexylsulfanylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(5-hexylsulfanylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(5-hexylsulfanyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-[5-(hexylthio)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(5-hexylsulfanylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-[5-(hexylthio)-2-thienyl]acrylic acid Formula: C13H18O2S2 MolecularWeight: 270.41082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC=C(S1)C=CC(=O)O

Isomeric SMILES

CCCCCCSC1=CC=C(S1)/C=C/C(=O)O

InChI

InChI=1S/C13H18O2S2/c1-2-3-4-5-10-16-13-9-7-11(17-13)6-8-12(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)/b8-6+