7-[2-oxidanylidene-5-(2,3,3-trimethyl-2-oxidanyl-heptyl)sulfanyl-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-oxidanylidene-5-(2,3,3-trimethyl-2-oxidanyl-heptyl)sulfanyl-cyclopentyl]heptanoic acid Openeye Name: 7-[2-(2-hydroxy-2,3,3-trimethyl-heptyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(2-hydroxy-2,3,3-trimethylheptyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-(2-hydroxy-2,3,3-trimethylheptyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(2-hydroxy-2,3,3-trimethyl-heptyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C22H40O4S MolecularWeight: 400.6156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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