ethyl 7-[2-(3-methyl-2-oxidanyl-3-phenyl-butyl)sulfanyl-5-oxidanyl-cyclopentyl]heptanoate

Systemtic Name: ethyl 7-[2-(3-methyl-2-oxidanyl-3-phenyl-butyl)sulfanyl-5-oxidanyl-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-hydroxy-5-(2-hydroxy-3-methyl-3-phenyl-butyl)sulfanyl-cyclopentyl]heptanoate CAS Name: 7-[2-hydroxy-5-[(2-hydroxy-3-methyl-3-phenylbutyl)thio]cyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-hydroxy-5-(2-hydroxy-3-methyl-3-phenylbutyl)sulfanylcyclopentyl]heptanoate Traditional Name: 7-[2-hydroxy-5-[(2-hydroxy-3-methyl-3-phenyl-butyl)thio]cyclopentyl]enanthic acid ethyl ester Formula: C25H40O4S MolecularWeight: 436.6477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40O4S/c1-4-29-24(28)15-11-6-5-10-14-20-21(26)16-17-22(20)30-18-23(27)25(2,3)19-12-8-7-9-13-19/h7-9,12-13,20-23,26-27H,4-6,10-11,14-18H2,1-3H3