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

Systemtic Name: 7-[2-oxidanylidene-5-(2,7,7-trimethyl-2-oxidanyl-octyl)sulfanyl-cyclopentyl]heptanoic acid Openeye Name: 7-[2-(2-hydroxy-2,7,7-trimethyl-octyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(2-hydroxy-2,7,7-trimethyloctyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-(2-hydroxy-2,7,7-trimethyloctyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(2-hydroxy-2,7,7-trimethyl-octyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C23H42O4S MolecularWeight: 414.64218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42O4S/c1-22(2,3)15-9-10-16-23(4,27)17-28-20-14-13-19(24)18(20)11-7-5-6-8-12-21(25)26/h18,20,27H,5-17H2,1-4H3,(H,25,26)