[4-[5-(1,2-dithiolan-3-yl)pentylcarbamoyl]-4-methyl-2-nitro-6-nitrooxy-cyclohexyl] nitrate

Systemtic Name: [4-[5-(1,2-dithiolan-3-yl)pentylcarbamoyl]-4-methyl-2-nitro-6-nitrooxy-cyclohexyl] nitrate Openeye Name: [4-[5-(dithiolan-3-yl)pentylcarbamoyl]-4-methyl-2-nitro-6-nitrooxy-cyclohexyl] nitrate CAS Name: nitric acid [4-[[5-(3-dithiolanyl)pentylamino]-oxomethyl]-4-methyl-2-nitro-6-nitrooxycyclohexyl] ester IUPAC Name: [4-[5-(dithiolan-3-yl)pentylcarbamoyl]-4-methyl-2-nitro-6-nitrooxycyclohexyl] nitrate Traditional Name: nitric acid [4-[5-(dithiolan-3-yl)pentylcarbamoyl]-4-methyl-2-nitro-6-nitrooxy-cyclohexyl] ester Formula: C16H26N4O9S2 MolecularWeight: 482.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(C(C1)O[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCCCCC2CCSS2

Isomeric SMILES

CC1(CC(C(C(C1)O[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCCCCC2CCSS2

InChI

InChI=1S/C16H26N4O9S2/c1-16(15(21)17-7-4-2-3-5-11-6-8-30-31-11)9-12(18(22)23)14(29-20(26)27)13(10-16)28-19(24)25/h11-14H,2-10H2,1H3,(H,17,21)