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

Systemtic Name: [bis[(5-methyl-2-propan-2-yl-cyclohexyl)oxy]phosphoryl-(2-fluorophenyl)methyl] 5-nitrofuran-2-carboxylate Openeye Name: [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(2-fluorophenyl)methyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphoryl-(2-fluorophenyl)methyl] ester IUPAC Name: [bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphoryl-(2-fluorophenyl)methyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(2-fluorophenyl)methyl] ester Formula: C32H45FNO8P MolecularWeight: 621.673764

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OP(=O)(C(C2=CC=CC=C2F)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=CC=C2F)OC(=O)C3=CC=C(O3)[N+](=O)[O-])OC4CC(CCC4C(C)C)C)C(C)C

InChI

InChI=1S/C32H45FNO8P/c1-19(2)23-13-11-21(5)17-28(23)41-43(38,42-29-18-22(6)12-14-24(29)20(3)4)32(25-9-7-8-10-26(25)33)40-31(35)27-15-16-30(39-27)34(36)37/h7-10,15-16,19-24,28-29,32H,11-14,17-18H2,1-6H3