2-(4-butylsulfanylphenyl)-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-(4-butylsulfanylphenyl)-2-oxidanylidene-ethanoic acid Openeye Name: 2-(4-butylsulfanylphenyl)-2-oxo-acetic acid CAS Name: 2-[4-(butylthio)phenyl]-2-oxoacetic acid IUPAC Name: 2-(4-butylsulfanylphenyl)-2-oxoacetic acid Traditional Name: 2-[4-(butylthio)phenyl]-2-keto-acetic acid Formula: C12H14O3S MolecularWeight: 238.30276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O3S/c1-2-3-8-16-10-6-4-9(5-7-10)11(13)12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15)