[2,6-bis(bromanyl)-4-(4-pentylcyclohexyl)phenyl] 3-nitrobenzoate

Systemtic Name: [2,6-bis(bromanyl)-4-(4-pentylcyclohexyl)phenyl] 3-nitrobenzoate Openeye Name: [2,6-dibromo-4-(4-pentylcyclohexyl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2,6-dibromo-4-(4-pentylcyclohexyl)phenyl] ester IUPAC Name: [2,6-dibromo-4-(4-pentylcyclohexyl)phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(4-amylcyclohexyl)-2,6-dibromo-phenyl] ester Formula: C24H27Br2NO4 MolecularWeight: 553.28348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC(=C(C(=C2)Br)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Br

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC(=C(C(=C2)Br)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C24H27Br2NO4/c1-2-3-4-6-16-9-11-17(12-10-16)19-14-21(25)23(22(26)15-19)31-24(28)18-7-5-8-20(13-18)27(29)30/h5,7-8,13-17H,2-4,6,9-12H2,1H3