[bis[(5-methyl-2-propan-2-yl-cyclohexyl)oxy]phosphoryl-(4-bromophenyl)methyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [bis[(5-methyl-2-propan-2-yl-cyclohexyl)oxy]phosphoryl-(4-bromophenyl)methyl] 5-nitrofuran-2-carboxylate Openeye Name: [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(4-bromophenyl)methyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphoryl-(4-bromophenyl)methyl] ester IUPAC Name: [bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphoryl-(4-bromophenyl)methyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(4-bromophenyl)methyl] ester Formula: C32H45BrNO8P MolecularWeight: 682.579361

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OP(=O)(C(C2=CC=C(C=C2)Br)OC(=O)C3=CC=C(O3)[N+](=O)[O-])OC4CC(CCC4C(C)C)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OP(=O)(C(C2=CC=C(C=C2)Br)OC(=O)C3=CC=C(O3)[N+](=O)[O-])OC4CC(CCC4C(C)C)C)C(C)C

InChI

InChI=1S/C32H45BrNO8P/c1-19(2)25-13-7-21(5)17-28(25)41-43(38,42-29-18-22(6)8-14-26(29)20(3)4)32(23-9-11-24(33)12-10-23)40-31(35)27-15-16-30(39-27)34(36)37/h9-12,15-16,19-22,25-26,28-29,32H,7-8,13-14,17-18H2,1-6H3