[4-tert-butyl-1-(4-tert-butylcyclohexen-1-yl)cyclohexyl] 4-nitrobenzoate

Systemtic Name: [4-tert-butyl-1-(4-tert-butylcyclohexen-1-yl)cyclohexyl] 4-nitrobenzoate Openeye Name: [4-tert-butyl-1-(4-tert-butylcyclohexen-1-yl)cyclohexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-tert-butyl-1-(4-tert-butyl-1-cyclohexenyl)cyclohexyl] ester IUPAC Name: [4-tert-butyl-1-(4-tert-butylcyclohexen-1-yl)cyclohexyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-tert-butyl-1-(4-tert-butylcyclohexen-1-yl)cyclohexyl] ester Formula: C27H39NO4 MolecularWeight: 441.60286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)(C2=CCC(CC2)C(C)(C)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC(CC1)(C2=CCC(CC2)C(C)(C)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H39NO4/c1-25(2,3)20-9-11-22(12-10-20)27(17-15-21(16-18-27)26(4,5)6)32-24(29)19-7-13-23(14-8-19)28(30)31/h7-8,11,13-14,20-21H,9-10,12,15-18H2,1-6H3