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

Systemtic Name: ethyl 7-[2-(2-methyl-2-oxidanyl-5-phenyl-pentyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-(2-hydroxy-2-methyl-5-phenyl-pentyl)sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(2-hydroxy-2-methyl-5-phenylpentyl)thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-(2-hydroxy-2-methyl-5-phenylpentyl)sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[(2-hydroxy-2-methyl-5-phenyl-pentyl)thio]-5-keto-cyclopentyl]enanthic acid ethyl ester Formula: C26H40O4S MolecularWeight: 448.6584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC1C(CCC1=O)SCC(C)(CCCC2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)CCCCCCC1C(CCC1=O)SCC(C)(CCCC2=CC=CC=C2)O

InChI

InChI=1S/C26H40O4S/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/h6-8,12-13,22,24,29H,3-5,9-11,14-20H2,1-2H3