methyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (4-nitrophenyl) phosphate

Systemtic Name: methyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (4-nitrophenyl) phosphate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] methyl (4-nitrophenyl) phosphate CAS Name: phosphoric acid methyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (4-nitrophenyl) ester IUPAC Name: methyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (4-nitrophenyl) phosphate Traditional Name: phosphoric acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] methyl (4-nitrophenyl) ester Formula: C17H26NO6P MolecularWeight: 371.365201

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OP(=O)(OC)OC2=CC=C(C=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(OC)OC2=CC=C(C=C2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C17H26NO6P/c1-12(2)16-10-5-13(3)11-17(16)24-25(21,22-4)23-15-8-6-14(7-9-15)18(19)20/h6-9,12-13,16-17H,5,10-11H2,1-4H3/t13-,16+,17-,25?/m1/s1