O5-butyl O3-cyclohexyl O1-(oxiran-2-ylmethyl) 3-chloranyl-1,1-dimethyl-heptane-1,3,5-tricarboxylate

Systemtic Name: O5-butyl O3-cyclohexyl O1-(oxiran-2-ylmethyl) 3-chloranyl-1,1-dimethyl-heptane-1,3,5-tricarboxylate Openeye Name: O5-butyl O3-cyclohexyl O1-(oxiran-2-ylmethyl) 3-chloro-1,1-dimethyl-heptane-1,3,5-tricarboxylate CAS Name: 3-chloro-1,1-dimethylheptane-1,3,5-tricarboxylic acid O5-butyl ester O3-cyclohexyl ester O1-(2-oxiranylmethyl) ester IUPAC Name: 5-O-butyl 3-O-cyclohexyl 1-O-(oxiran-2-ylmethyl) 3-chloro-1,1-dimethylheptane-1,3,5-tricarboxylate Traditional Name: 3-chloro-1,1-dimethyl-heptane-1,3,5-tricarboxylic acid O5-butyl ester O3-cyclohexyl ester O1-glycidyl ester Formula: C25H41ClO7 MolecularWeight: 489.04184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC)CC(CC(C)(C)C(=O)OCC1CO1)(C(=O)OC2CCCCC2)Cl

Isomeric SMILES

CCCCOC(=O)C(CC)CC(CC(C)(C)C(=O)OCC1CO1)(C(=O)OC2CCCCC2)Cl

InChI

InChI=1S/C25H41ClO7/c1-5-7-13-30-21(27)18(6-2)14-25(26,23(29)33-19-11-9-8-10-12-19)17-24(3,4)22(28)32-16-20-15-31-20/h18-20H,5-17H2,1-4H3