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

Systemtic Name: decyl 7-[2-oxidanylidene-5-(2,3,3-trimethyl-2-oxidanyl-5-phenyl-pentyl)sulfanyl-cyclopentyl]heptanoate Openeye Name: decyl 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 decyl ester IUPAC Name: decyl 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 decyl ester Formula: C36H60O4S MolecularWeight: 588.9242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H60O4S/c1-5-6-7-8-9-10-13-19-28-40-34(38)23-18-12-11-17-22-31-32(37)24-25-33(31)41-29-36(4,39)35(2,3)27-26-30-20-15-14-16-21-30/h14-16,20-21,31,33,39H,5-13,17-19,22-29H2,1-4H3