[bis[(5-methyl-2-propan-2-yl-cyclohexyl)oxy]phosphoryl-(4-bromophenyl)methyl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [bis[(5-methyl-2-propan-2-yl-cyclohexyl)oxy]phosphoryl-(4-bromophenyl)methyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(4-bromophenyl)methyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic 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] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(4-bromophenyl)methyl] ester Formula: C34H46BrClNO7P MolecularWeight: 727.062301

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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=C(C=C(C=C3)Cl)[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=C(C=C(C=C3)Cl)[N+](=O)[O-])OC4CC(CCC4C(C)C)C)C(C)C

InChI

InChI=1S/C34H46BrClNO7P/c1-20(2)27-14-7-22(5)17-31(27)43-45(41,44-32-18-23(6)8-15-28(32)21(3)4)34(24-9-11-25(35)12-10-24)42-33(38)29-16-13-26(36)19-30(29)37(39)40/h9-13,16,19-23,27-28,31-32,34H,7-8,14-15,17-18H2,1-6H3