8-[2,4-bis(oxidanyl)cyclopentyl]sulfanyl-9-(4-methyl-3-oxidanyl-phenyl)decanoic acid

Systemtic Name: 8-[2,4-bis(oxidanyl)cyclopentyl]sulfanyl-9-(4-methyl-3-oxidanyl-phenyl)decanoic acid Openeye Name: 8-(2,4-dihydroxycyclopentyl)sulfanyl-9-(3-hydroxy-4-methyl-phenyl)decanoic acid CAS Name: 8-[(2,4-dihydroxycyclopentyl)thio]-9-(3-hydroxy-4-methylphenyl)decanoic acid IUPAC Name: 8-(2,4-dihydroxycyclopentyl)sulfanyl-9-(3-hydroxy-4-methylphenyl)decanoic acid Traditional Name: 8-[(2,4-dihydroxycyclopentyl)thio]-9-(3-hydroxy-4-methyl-phenyl)capric acid Formula: C22H34O5S MolecularWeight: 410.56736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)C(CCCCCCC(=O)O)SC2CC(CC2O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)C(CCCCCCC(=O)O)SC2CC(CC2O)O)O

InChI

InChI=1S/C22H34O5S/c1-14-9-10-16(11-18(14)24)15(2)20(7-5-3-4-6-8-22(26)27)28-21-13-17(23)12-19(21)25/h9-11,15,17,19-21,23-25H,3-8,12-13H2,1-2H3,(H,26,27)