ethyl 7-[2-oxidanyl-5-(2,3,3-trimethyl-2-oxidanyl-nonyl)sulfanyl-cyclopentyl]heptanoate

Systemtic Name: ethyl 7-[2-oxidanyl-5-(2,3,3-trimethyl-2-oxidanyl-nonyl)sulfanyl-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-hydroxy-5-(2-hydroxy-2,3,3-trimethyl-nonyl)sulfanyl-cyclopentyl]heptanoate CAS Name: 7-[2-hydroxy-5-[(2-hydroxy-2,3,3-trimethylnonyl)thio]cyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-hydroxy-5-(2-hydroxy-2,3,3-trimethylnonyl)sulfanylcyclopentyl]heptanoate Traditional Name: 7-[2-hydroxy-5-[(2-hydroxy-2,3,3-trimethyl-nonyl)thio]cyclopentyl]enanthic acid ethyl ester Formula: C26H50O4S MolecularWeight: 458.7378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H50O4S/c1-6-8-9-14-19-25(3,4)26(5,29)20-31-23-18-17-22(27)21(23)15-12-10-11-13-16-24(28)30-7-2/h21-23,27,29H,6-20H2,1-5H3