[4-(4-tert-butyl-3-nitro-phenyl)-1-cyclohexyl-butan-2-yl] benzoate

Systemtic Name: [4-(4-tert-butyl-3-nitro-phenyl)-1-cyclohexyl-butan-2-yl] benzoate Openeye Name: [3-(4-tert-butyl-3-nitro-phenyl)-1-(cyclohexylmethyl)propyl] benzoate CAS Name: benzoic acid [4-(4-tert-butyl-3-nitrophenyl)-1-cyclohexylbutan-2-yl] ester IUPAC Name: [4-(4-tert-butyl-3-nitrophenyl)-1-cyclohexylbutan-2-yl] benzoate Traditional Name: benzoic acid [3-(4-tert-butyl-3-nitro-phenyl)-1-(cyclohexylmethyl)propyl] ester Formula: C27H35NO4 MolecularWeight: 437.5711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCC(CC2CCCCC2)OC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)CCC(CC2CCCCC2)OC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H35NO4/c1-27(2,3)24-17-15-21(19-25(24)28(30)31)14-16-23(18-20-10-6-4-7-11-20)32-26(29)22-12-8-5-9-13-22/h5,8-9,12-13,15,17,19-20,23H,4,6-7,10-11,14,16,18H2,1-3H3