3-ethyl-6-ethylsulfanyl-phthalic acid

Systemtic Name: 3-ethyl-6-ethylsulfanyl-phthalic acid Openeye Name: 3-ethyl-6-ethylsulfanyl-phthalic acid CAS Name: 3-ethyl-6-(ethylthio)phthalic acid IUPAC Name: 3-ethyl-6-ethylsulfanylphthalic acid Traditional Name: 3-ethyl-6-(ethylthio)phthalic acid Formula: C12H14O4S MolecularWeight: 254.30216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)SCC)C(=O)O)C(=O)O

Isomeric SMILES

CCC1=C(C(=C(C=C1)SCC)C(=O)O)C(=O)O

InChI

InChI=1S/C12H14O4S/c1-3-7-5-6-8(17-4-2)10(12(15)16)9(7)11(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16)