(E)-3-(4-butylsulfanylphenyl)but-2-enoic acid

Systemtic Name: (E)-3-(4-butylsulfanylphenyl)but-2-enoic acid Openeye Name: (E)-3-(4-butylsulfanylphenyl)but-2-enoic acid CAS Name: (E)-3-[4-(butylthio)phenyl]-2-butenoic acid IUPAC Name: (E)-3-(4-butylsulfanylphenyl)but-2-enoic acid Traditional Name: (E)-3-[4-(butylthio)phenyl]but-2-enoic acid Formula: C14H18O2S MolecularWeight: 250.35652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C(=CC(=O)O)C

Isomeric SMILES

CCCCSC1=CC=C(C=C1)/C(=C/C(=O)O)/C

InChI

InChI=1S/C14H18O2S/c1-3-4-9-17-13-7-5-12(6-8-13)11(2)10-14(15)16/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)/b11-10+