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3-(4,4-dinitrobutyl)phthalate

3-(4,4-dinitrobutyl)phthalate

Systemtic Name:3-(4,4-dinitrobutyl)phthalate
Openeye Name:3-(4,4-dinitrobutyl)phthalate
CAS Name:3-(4,4-dinitrobutyl)phthalate
IUPAC Name:3-(4,4-dinitrobutyl)phthalate
Traditional Name:3-(4,4-dinitrobutyl)phthalate
Formula: C12H10N2O8-2
MolecularWeight: 310.2164
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H12N2O8/c15-11(16)8-5-1-3-7(10(8)12(17)18)4-2-6-9(13(19)20)14(21)22/h1,3,5,9H,2,4,6H2,(H,15,16)(H,17,18)/p-2


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