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

Systemtic Name: ethyl 7-[2-(2,3-dimethyl-2-oxidanyl-3-phenyl-butyl)sulfanyl-5-oxidanyl-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-hydroxy-5-(2-hydroxy-2,3-dimethyl-3-phenyl-butyl)sulfanyl-cyclopentyl]heptanoate CAS Name: 7-[2-hydroxy-5-[(2-hydroxy-2,3-dimethyl-3-phenylbutyl)thio]cyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-hydroxy-5-(2-hydroxy-2,3-dimethyl-3-phenylbutyl)sulfanylcyclopentyl]heptanoate Traditional Name: 7-[2-hydroxy-5-[(2-hydroxy-2,3-dimethyl-3-phenyl-butyl)thio]cyclopentyl]enanthic acid ethyl ester Formula: C26H42O4S MolecularWeight: 450.67428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O4S/c1-5-30-24(28)16-12-7-6-11-15-21-22(27)17-18-23(21)31-19-26(4,29)25(2,3)20-13-9-8-10-14-20/h8-10,13-14,21-23,27,29H,5-7,11-12,15-19H2,1-4H3