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

Systemtic Name: (E)-3-(5-pentylsulfanylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(5-pentylsulfanyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-[5-(pentylthio)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(5-pentylsulfanylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-[5-(amylthio)-2-thienyl]acrylic acid Formula: C12H16O2S2 MolecularWeight: 256.38424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC=C(S1)C=CC(=O)O

Isomeric SMILES

CCCCCSC1=CC=C(S1)/C=C/C(=O)O

InChI

InChI=1S/C12H16O2S2/c1-2-3-4-9-15-12-8-6-10(16-12)5-7-11(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)/b7-5+