methyl 4-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]-1-heptyl-cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]-1-heptyl-cyclohexane-1-carboxylate Openeye Name: methyl 4-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]-1-heptyl-cyclohexanecarboxylate CAS Name: 4-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]-1-heptyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]-1-heptylcyclohexane-1-carboxylate Traditional Name: 4-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]-1-heptyl-cyclohexanecarboxylic acid methyl ester Formula: C37H54O2 MolecularWeight: 530.82346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CCCC)C(=O)OC

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CCCC)C(=O)OC

InChI

InChI=1S/C37H54O2/c1-4-6-8-9-10-26-37(36(38)39-3)27-24-35(25-28-37)34-22-20-33(21-23-34)32-18-16-31(17-19-32)30-14-12-29(13-15-30)11-7-5-2/h16-23,29-30,35H,4-15,24-28H2,1-3H3