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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44O4S/c1-5-32-26(30)16-12-7-6-11-15-23-24(29)17-18-25(23)33-21-28(4,31)27(2,3)20-19-22-13-9-8-10-14-22/h8-10,13-14,23,25,31H,5-7,11-12,15-21H2,1-4H3