2-(2,2-dimethyl-5,6-dinitrooxy-hexanoyl)oxybenzoic acid

Systemtic Name: 2-(2,2-dimethyl-5,6-dinitrooxy-hexanoyl)oxybenzoic acid Openeye Name: 2-(2,2-dimethyl-5,6-dinitrooxy-hexanoyl)oxybenzoic acid CAS Name: 2-(2,2-dimethyl-5,6-dinitrooxy-1-oxohexoxy)benzoic acid IUPAC Name: 2-(2,2-dimethyl-5,6-dinitrooxyhexanoyl)oxybenzoic acid Traditional Name: 2-(2,2-dimethyl-5,6-dinitrooxy-hexanoyl)oxybenzoic acid Formula: C15H18N2O10 MolecularWeight: 386.31082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(CO[N+](=O)[O-])O[N+](=O)[O-])C(=O)OC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)(CCC(CO[N+](=O)[O-])O[N+](=O)[O-])C(=O)OC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C15H18N2O10/c1-15(2,8-7-10(27-17(23)24)9-25-16(21)22)14(20)26-12-6-4-3-5-11(12)13(18)19/h3-6,10H,7-9H2,1-2H3,(H,18,19)