[3-[5-(1,2-dithiolan-3-yl)pentylcarbamoyl]-5,6-dinitrooxy-cyclohex-2-en-1-yl] nitrate

Systemtic Name: [3-[5-(1,2-dithiolan-3-yl)pentylcarbamoyl]-5,6-dinitrooxy-cyclohex-2-en-1-yl] nitrate Openeye Name: [3-[5-(dithiolan-3-yl)pentylcarbamoyl]-5,6-dinitrooxy-cyclohex-2-en-1-yl] nitrate CAS Name: nitric acid [3-[[5-(3-dithiolanyl)pentylamino]-oxomethyl]-5,6-dinitrooxy-1-cyclohex-2-enyl] ester IUPAC Name: [3-[5-(dithiolan-3-yl)pentylcarbamoyl]-5,6-dinitrooxycyclohex-2-en-1-yl] nitrate Traditional Name: nitric acid [3-[5-(dithiolan-3-yl)pentylcarbamoyl]-5,6-dinitrooxy-cyclohex-2-en-1-yl] ester Formula: C15H22N4O10S2 MolecularWeight: 482.48598

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCCNC(=O)C2=CC(C(C(C2)O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

C1CSSC1CCCCCNC(=O)C2=CC(C(C(C2)O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C15H22N4O10S2/c20-15(16-6-3-1-2-4-11-5-7-30-31-11)10-8-12(27-17(21)22)14(29-19(25)26)13(9-10)28-18(23)24/h8,11-14H,1-7,9H2,(H,16,20)