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

Systemtic Name: ethyl 7-[2-(3,3-dimethyl-2-oxidanyl-5-phenyl-pentyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-(2-hydroxy-3,3-dimethyl-5-phenyl-pentyl)sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(2-hydroxy-3,3-dimethyl-5-phenylpentyl)thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-(2-hydroxy-3,3-dimethyl-5-phenylpentyl)sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[(2-hydroxy-3,3-dimethyl-5-phenyl-pentyl)thio]-5-keto-cyclopentyl]enanthic acid ethyl ester Formula: C27H42O4S MolecularWeight: 462.68498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42O4S/c1-4-31-26(30)15-11-6-5-10-14-22-23(28)16-17-24(22)32-20-25(29)27(2,3)19-18-21-12-8-7-9-13-21/h7-9,12-13,22,24-25,29H,4-6,10-11,14-20H2,1-3H3