O9-[3-(2-acetyloxy-3,3-dimethyl-heptyl)sulfanylcyclopentyl] O1-ethyl nonanedioate

Systemtic Name: O9-[3-(2-acetyloxy-3,3-dimethyl-heptyl)sulfanylcyclopentyl] O1-ethyl nonanedioate Openeye Name: O9-[3-(2-acetoxy-3,3-dimethyl-heptyl)sulfanylcyclopentyl] O1-ethyl nonanedioate CAS Name: nonanedioic acid O9-[3-[(2-acetyloxy-3,3-dimethylheptyl)thio]cyclopentyl] ester O1-ethyl ester IUPAC Name: 9-O-[3-(2-acetyloxy-3,3-dimethylheptyl)sulfanylcyclopentyl] 1-O-ethyl nonanedioate Traditional Name: azelaic acid O9-[3-[(2-acetoxy-3,3-dimethyl-heptyl)thio]cyclopentyl] ester O1-ethyl ester Formula: C27H48O6S MolecularWeight: 500.73142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(CSC1CCC(C1)OC(=O)CCCCCCCC(=O)OCC)OC(=O)C

Isomeric SMILES

CCCCC(C)(C)C(CSC1CCC(C1)OC(=O)CCCCCCCC(=O)OCC)OC(=O)C

InChI

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