(4-heptylphenyl) 4-[4-(2-methylbutyl)cyclohexyl]cyclohexane-1-carboxylate

Systemtic Name: (4-heptylphenyl) 4-[4-(2-methylbutyl)cyclohexyl]cyclohexane-1-carboxylate Openeye Name: (4-heptylphenyl) 4-[4-(2-methylbutyl)cyclohexyl]cyclohexanecarboxylate CAS Name: 4-[4-(2-methylbutyl)cyclohexyl]-1-cyclohexanecarboxylic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 4-[4-(2-methylbutyl)cyclohexyl]cyclohexane-1-carboxylate Traditional Name: 4-[4-(2-methylbutyl)cyclohexyl]cyclohexanecarboxylic acid (4-heptylphenyl) ester Formula: C31H50O2 MolecularWeight: 454.7275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C3CCC(CC3)CC(C)CC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C3CCC(CC3)CC(C)CC

InChI

InChI=1S/C31H50O2/c1-4-6-7-8-9-10-25-13-21-30(22-14-25)33-31(32)29-19-17-28(18-20-29)27-15-11-26(12-16-27)23-24(3)5-2/h13-14,21-22,24,26-29H,4-12,15-20,23H2,1-3H3