[3-(2,4-dimethoxyphenyl)-4-nitro-cyclohexyl] methanesulfonate

Systemtic Name: [3-(2,4-dimethoxyphenyl)-4-nitro-cyclohexyl] methanesulfonate Openeye Name: [3-(2,4-dimethoxyphenyl)-4-nitro-cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [3-(2,4-dimethoxyphenyl)-4-nitrocyclohexyl] ester IUPAC Name: [3-(2,4-dimethoxyphenyl)-4-nitrocyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(2,4-dimethoxyphenyl)-4-nitro-cyclohexyl] ester Formula: C15H21NO7S MolecularWeight: 359.39474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO7S/c1-21-10-4-6-12(15(9-10)22-2)13-8-11(23-24(3,19)20)5-7-14(13)16(17)18/h4,6,9,11,13-14H,5,7-8H2,1-3H3