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

Systemtic Name: methyl 4-[4-(4-heptylcyclohexyl)cyclohexyl]-1-methyl-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 4-[4-(4-heptylcyclohexyl)cyclohexyl]-1-methyl-2-oxo-cyclohexanecarboxylate CAS Name: 4-[4-(4-heptylcyclohexyl)cyclohexyl]-1-methyl-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-heptylcyclohexyl)cyclohexyl]-1-methyl-2-oxocyclohexane-1-carboxylate Traditional Name: 4-[4-(4-heptylcyclohexyl)cyclohexyl]-2-keto-1-methyl-cyclohexanecarboxylic acid methyl ester Formula: C28H48O3 MolecularWeight: 432.67892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H48O3/c1-4-5-6-7-8-9-21-10-12-22(13-11-21)23-14-16-24(17-15-23)25-18-19-28(2,26(29)20-25)27(30)31-3/h21-25H,4-20H2,1-3H3