[(4R)-4-[2-(methoxymethoxy)-5-methyl-phenyl]pentyl] 3,5-dinitrobenzoate

Systemtic Name: [(4R)-4-[2-(methoxymethoxy)-5-methyl-phenyl]pentyl] 3,5-dinitrobenzoate Openeye Name: [(4R)-4-[2-(methoxymethoxy)-5-methyl-phenyl]pentyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(4R)-4-[2-(methoxymethoxy)-5-methylphenyl]pentyl] ester IUPAC Name: [(4R)-4-[2-(methoxymethoxy)-5-methylphenyl]pentyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(4R)-4-[2-(methoxymethoxy)-5-methyl-phenyl]pentyl] ester Formula: C21H24N2O8 MolecularWeight: 432.42386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCOC)C(C)CCCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCOC)[C@H](C)CCCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O8/c1-14-6-7-20(31-13-29-3)19(9-14)15(2)5-4-8-30-21(24)16-10-17(22(25)26)12-18(11-16)23(27)28/h6-7,9-12,15H,4-5,8,13H2,1-3H3/t15-/m1/s1