2-[1-methyl-5-oxidanyl-2-[3-oxidanylidene-2-(phenylsulfonyl)octyl]cyclopent-2-en-1-yl]ethanoic acid

Systemtic Name: 2-[1-methyl-5-oxidanyl-2-[3-oxidanylidene-2-(phenylsulfonyl)octyl]cyclopent-2-en-1-yl]ethanoic acid Openeye Name: 2-[2-[2-(benzenesulfonyl)-3-oxo-octyl]-5-hydroxy-1-methyl-cyclopent-2-en-1-yl]acetic acid CAS Name: 2-[2-[2-(benzenesulfonyl)-3-oxooctyl]-5-hydroxy-1-methyl-1-cyclopent-2-enyl]acetic acid IUPAC Name: 2-[2-[2-(benzenesulfonyl)-3-oxooctyl]-5-hydroxy-1-methylcyclopent-2-en-1-yl]acetic acid Traditional Name: 2-[2-(2-besyl-3-keto-octyl)-5-hydroxy-1-methyl-cyclopent-2-en-1-yl]acetic acid Formula: C22H30O6S MolecularWeight: 422.535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(CC1=CCC(C1(C)CC(=O)O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)C(CC1=CCC(C1(C)CC(=O)O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H30O6S/c1-3-4-6-11-18(23)19(29(27,28)17-9-7-5-8-10-17)14-16-12-13-20(24)22(16,2)15-21(25)26/h5,7-10,12,19-20,24H,3-4,6,11,13-15H2,1-2H3,(H,25,26)