7-[2-oxidanylidene-5-(2,6,6-trimethyl-2-oxidanyl-heptyl)sulfanyl-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-oxidanylidene-5-(2,6,6-trimethyl-2-oxidanyl-heptyl)sulfanyl-cyclopentyl]heptanoic acid Openeye Name: 7-[2-(2-hydroxy-2,6,6-trimethyl-heptyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(2-hydroxy-2,6,6-trimethylheptyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-(2-hydroxy-2,6,6-trimethylheptyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(2-hydroxy-2,6,6-trimethyl-heptyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C22H40O4S MolecularWeight: 400.6156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCC(C)(CSC1CCC(=O)C1CCCCCCC(=O)O)O

Isomeric SMILES

CC(C)(C)CCCC(C)(CSC1CCC(=O)C1CCCCCCC(=O)O)O

InChI

InChI=1S/C22H40O4S/c1-21(2,3)14-9-15-22(4,26)16-27-19-13-12-18(23)17(19)10-7-5-6-8-11-20(24)25/h17,19,26H,5-16H2,1-4H3,(H,24,25)