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

Systemtic Name: ethyl 7-[2-(3,3-dimethyl-2-oxidanyl-5-phenyl-pentyl)sulfanyl-5-oxidanyl-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-hydroxy-5-(2-hydroxy-3,3-dimethyl-5-phenyl-pentyl)sulfanyl-cyclopentyl]heptanoate CAS Name: 7-[2-hydroxy-5-[(2-hydroxy-3,3-dimethyl-5-phenylpentyl)thio]cyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-hydroxy-5-(2-hydroxy-3,3-dimethyl-5-phenylpentyl)sulfanylcyclopentyl]heptanoate Traditional Name: 7-[2-hydroxy-5-[(2-hydroxy-3,3-dimethyl-5-phenyl-pentyl)thio]cyclopentyl]enanthic acid ethyl ester Formula: C27H44O4S MolecularWeight: 464.70086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC1C(CCC1SCC(C(C)(C)CCC2=CC=CC=C2)O)O

Isomeric SMILES

CCOC(=O)CCCCCCC1C(CCC1SCC(C(C)(C)CCC2=CC=CC=C2)O)O

InChI

InChI=1S/C27H44O4S/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/h7-9,12-13,22-25,28-29H,4-6,10-11,14-20H2,1-3H3