[3-(6-methoxypyridin-3-yl)-4-nitro-cyclohexyl] methanesulfonate

Systemtic Name: [3-(6-methoxypyridin-3-yl)-4-nitro-cyclohexyl] methanesulfonate Openeye Name: [3-(6-methoxy-3-pyridyl)-4-nitro-cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [3-(6-methoxy-3-pyridinyl)-4-nitrocyclohexyl] ester IUPAC Name: [3-(6-methoxypyridin-3-yl)-4-nitrocyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(6-methoxy-3-pyridyl)-4-nitro-cyclohexyl] ester Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C2CC(CCC2[N+](=O)[O-])OS(=O)(=O)C

Isomeric SMILES

COC1=NC=C(C=C1)C2CC(CCC2[N+](=O)[O-])OS(=O)(=O)C

InChI

InChI=1S/C13H18N2O6S/c1-20-13-6-3-9(8-14-13)11-7-10(21-22(2,18)19)4-5-12(11)15(16)17/h3,6,8,10-12H,4-5,7H2,1-2H3