6-(4-methylphenyl)sulfinyl-3,5-bis(oxidanylidene)hexanoic acid

Systemtic Name: 6-(4-methylphenyl)sulfinyl-3,5-bis(oxidanylidene)hexanoic acid Openeye Name: 3,5-dioxo-6-(p-tolylsulfinyl)hexanoic acid CAS Name: 6-(4-methylphenyl)sulfinyl-3,5-dioxohexanoic acid IUPAC Name: 6-(4-methylphenyl)sulfinyl-3,5-dioxohexanoic acid Traditional Name: 3,5-diketo-6-(p-tolylsulfinyl)hexanoic acid Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CC(=O)CC(=O)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)CC(=O)CC(=O)CC(=O)O

InChI

InChI=1S/C13H14O5S/c1-9-2-4-12(5-3-9)19(18)8-11(15)6-10(14)7-13(16)17/h2-5H,6-8H2,1H3,(H,16,17)