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

Systemtic Name: 7-[2-oxidanylidene-5-(2,3,3-trimethyl-2-oxidanyl-nonyl)sulfanyl-cyclopentyl]heptanoic acid Openeye Name: 7-[2-(2-hydroxy-2,3,3-trimethyl-nonyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(2-hydroxy-2,3,3-trimethylnonyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-(2-hydroxy-2,3,3-trimethylnonyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(2-hydroxy-2,3,3-trimethyl-nonyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C24H44O4S MolecularWeight: 428.66876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C(C)(CSC1CCC(=O)C1CCCCCCC(=O)O)O

Isomeric SMILES

CCCCCCC(C)(C)C(C)(CSC1CCC(=O)C1CCCCCCC(=O)O)O

InChI

InChI=1S/C24H44O4S/c1-5-6-7-12-17-23(2,3)24(4,28)18-29-21-16-15-20(25)19(21)13-10-8-9-11-14-22(26)27/h19,21,28H,5-18H2,1-4H3,(H,26,27)