ethyl 7-[2-oxidanyl-5-(2,8,8-trimethyl-2-oxidanyl-nonyl)sulfanyl-cyclopentyl]heptanoate

Systemtic Name: ethyl 7-[2-oxidanyl-5-(2,8,8-trimethyl-2-oxidanyl-nonyl)sulfanyl-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-hydroxy-5-(2-hydroxy-2,8,8-trimethyl-nonyl)sulfanyl-cyclopentyl]heptanoate CAS Name: 7-[2-hydroxy-5-[(2-hydroxy-2,8,8-trimethylnonyl)thio]cyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-hydroxy-5-(2-hydroxy-2,8,8-trimethylnonyl)sulfanylcyclopentyl]heptanoate Traditional Name: 7-[2-hydroxy-5-[(2-hydroxy-2,8,8-trimethyl-nonyl)thio]cyclopentyl]enanthic acid ethyl ester Formula: C26H50O4S MolecularWeight: 458.7378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC1C(CCC1SCC(C)(CCCCCC(C)(C)C)O)O

Isomeric SMILES

CCOC(=O)CCCCCCC1C(CCC1SCC(C)(CCCCCC(C)(C)C)O)O

InChI

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