ethyl 7-[2-(2-methyl-2-oxidanyl-5-phenyl-pentyl)sulfanyl-5-oxidanyl-cyclopentyl]heptanoate

Systemtic Name: ethyl 7-[2-(2-methyl-2-oxidanyl-5-phenyl-pentyl)sulfanyl-5-oxidanyl-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-hydroxy-5-(2-hydroxy-2-methyl-5-phenyl-pentyl)sulfanyl-cyclopentyl]heptanoate CAS Name: 7-[2-hydroxy-5-[(2-hydroxy-2-methyl-5-phenylpentyl)thio]cyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-hydroxy-5-(2-hydroxy-2-methyl-5-phenylpentyl)sulfanylcyclopentyl]heptanoate Traditional Name: 7-[2-hydroxy-5-[(2-hydroxy-2-methyl-5-phenyl-pentyl)thio]cyclopentyl]enanthic acid ethyl ester Formula: C26H42O4S MolecularWeight: 450.67428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC1C(CCC1SCC(C)(CCCC2=CC=CC=C2)O)O

Isomeric SMILES

CCOC(=O)CCCCCCC1C(CCC1SCC(C)(CCCC2=CC=CC=C2)O)O

InChI

InChI=1S/C26H42O4S/c1-3-30-25(28)16-10-5-4-9-15-22-23(27)17-18-24(22)31-20-26(2,29)19-11-14-21-12-7-6-8-13-21/h6-8,12-13,22-24,27,29H,3-5,9-11,14-20H2,1-2H3