9-[3-(2-acetyloxy-3,3-dimethyl-nonyl)sulfanylcyclopentyl]oxy-9-oxidanylidene-nonanoic acid

Systemtic Name: 9-[3-(2-acetyloxy-3,3-dimethyl-nonyl)sulfanylcyclopentyl]oxy-9-oxidanylidene-nonanoic acid Openeye Name: 9-[3-(2-acetoxy-3,3-dimethyl-nonyl)sulfanylcyclopentoxy]-9-oxo-nonanoic acid CAS Name: 9-[3-[(2-acetyloxy-3,3-dimethylnonyl)thio]cyclopentyl]oxy-9-oxononanoic acid IUPAC Name: 9-[3-(2-acetyloxy-3,3-dimethylnonyl)sulfanylcyclopentyl]oxy-9-oxononanoic acid Traditional Name: 9-[3-[(2-acetoxy-3,3-dimethyl-nonyl)thio]cyclopentoxy]-9-keto-pelargonic acid Formula: C27H48O6S MolecularWeight: 500.73142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C(CSC1CCC(C1)OC(=O)CCCCCCCC(=O)O)OC(=O)C

Isomeric SMILES

CCCCCCC(C)(C)C(CSC1CCC(C1)OC(=O)CCCCCCCC(=O)O)OC(=O)C

InChI

InChI=1S/C27H48O6S/c1-5-6-7-13-18-27(3,4)24(32-21(2)28)20-34-23-17-16-22(19-23)33-26(31)15-12-10-8-9-11-14-25(29)30/h22-24H,5-20H2,1-4H3,(H,29,30)