butyl 4-[4-(4-heptylcyclohexyl)cyclohexyl]-1-methyl-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: butyl 4-[4-(4-heptylcyclohexyl)cyclohexyl]-1-methyl-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: butyl 4-[4-(4-heptylcyclohexyl)cyclohexyl]-1-methyl-2-oxo-cyclohexanecarboxylate CAS Name: 4-[4-(4-heptylcyclohexyl)cyclohexyl]-1-methyl-2-oxo-1-cyclohexanecarboxylic acid butyl ester IUPAC Name: butyl 4-[4-(4-heptylcyclohexyl)cyclohexyl]-1-methyl-2-oxocyclohexane-1-carboxylate Traditional Name: 4-[4-(4-heptylcyclohexyl)cyclohexyl]-2-keto-1-methyl-cyclohexanecarboxylic acid butyl ester Formula: C31H54O3 MolecularWeight: 474.75866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2CCC(CC2)C3CCC(C(=O)C3)(C)C(=O)OCCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2CCC(CC2)C3CCC(C(=O)C3)(C)C(=O)OCCCC

InChI

InChI=1S/C31H54O3/c1-4-6-8-9-10-11-24-12-14-25(15-13-24)26-16-18-27(19-17-26)28-20-21-31(3,29(32)23-28)30(33)34-22-7-5-2/h24-28H,4-23H2,1-3H3