ethyl 7-[2-oxidanylidene-5-[2,3,3-trimethyl-4-(4-methylphenyl)-2-oxidanyl-butyl]sulfanyl-cyclopentyl]heptanoate

Systemtic Name: ethyl 7-[2-oxidanylidene-5-[2,3,3-trimethyl-4-(4-methylphenyl)-2-oxidanyl-butyl]sulfanyl-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-[2-hydroxy-2,3,3-trimethyl-4-(p-tolyl)butyl]sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[[2-hydroxy-2,3,3-trimethyl-4-(4-methylphenyl)butyl]thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-[2-hydroxy-2,3,3-trimethyl-4-(4-methylphenyl)butyl]sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[[2-hydroxy-2,3,3-trimethyl-4-(p-tolyl)butyl]thio]-5-keto-cyclopentyl]enanthic acid ethyl ester Formula: C28H44O4S MolecularWeight: 476.71156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC1C(CCC1=O)SCC(C)(C(C)(C)CC2=CC=C(C=C2)C)O

Isomeric SMILES

CCOC(=O)CCCCCCC1C(CCC1=O)SCC(C)(C(C)(C)CC2=CC=C(C=C2)C)O

InChI

InChI=1S/C28H44O4S/c1-6-32-26(30)12-10-8-7-9-11-23-24(29)17-18-25(23)33-20-28(5,31)27(3,4)19-22-15-13-21(2)14-16-22/h13-16,23,25,31H,6-12,17-20H2,1-5H3