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

Systemtic Name: ethyl 7-[2-oxidanylidene-5-[2,3,3-trimethyl-5-(4-methylphenyl)-2-oxidanyl-pentyl]sulfanyl-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-[2-hydroxy-2,3,3-trimethyl-5-(p-tolyl)pentyl]sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[[2-hydroxy-2,3,3-trimethyl-5-(4-methylphenyl)pentyl]thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-[2-hydroxy-2,3,3-trimethyl-5-(4-methylphenyl)pentyl]sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[[2-hydroxy-2,3,3-trimethyl-5-(p-tolyl)pentyl]thio]-5-keto-cyclopentyl]enanthic acid ethyl ester Formula: C29H46O4S MolecularWeight: 490.73814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC1C(CCC1=O)SCC(C)(C(C)(C)CCC2=CC=C(C=C2)C)O

Isomeric SMILES

CCOC(=O)CCCCCCC1C(CCC1=O)SCC(C)(C(C)(C)CCC2=CC=C(C=C2)C)O

InChI

InChI=1S/C29H46O4S/c1-6-33-27(31)12-10-8-7-9-11-24-25(30)17-18-26(24)34-21-29(5,32)28(3,4)20-19-23-15-13-22(2)14-16-23/h13-16,24,26,32H,6-12,17-21H2,1-5H3