7-(4-methylsulfonylphenyl)-4,7-bis(oxidanylidene)heptanoic acid

Systemtic Name: 7-(4-methylsulfonylphenyl)-4,7-bis(oxidanylidene)heptanoic acid Openeye Name: 7-(4-methylsulfonylphenyl)-4,7-dioxo-heptanoic acid CAS Name: 7-(4-methylsulfonylphenyl)-4,7-dioxoheptanoic acid IUPAC Name: 7-(4-methylsulfonylphenyl)-4,7-dioxoheptanoic acid Traditional Name: 4,7-diketo-7-(4-mesylphenyl)enanthic acid Formula: C14H16O6S MolecularWeight: 312.33824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)CCC(=O)CCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)CCC(=O)CCC(=O)O

InChI

InChI=1S/C14H16O6S/c1-21(19,20)12-6-2-10(3-7-12)13(16)8-4-11(15)5-9-14(17)18/h2-3,6-7H,4-5,8-9H2,1H3,(H,17,18)