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hept-6-ynyl 3,5-dinitrobenzoate

hept-6-ynyl 3,5-dinitrobenzoate

Systemtic Name:hept-6-ynyl 3,5-dinitrobenzoate
Openeye Name:hept-6-ynyl 3,5-dinitrobenzoate
CAS Name:3,5-dinitrobenzoic acid hept-6-ynyl ester
IUPAC Name:hept-6-ynyl 3,5-dinitrobenzoate
Traditional Name:3,5-dinitrobenzoic acid hept-6-ynyl ester
Formula: C14H14N2O6
MolecularWeight: 306.27076
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H14N2O6/c1-2-3-4-5-6-7-22-14(17)11-8-12(15(18)19)10-13(9-11)16(20)21/h1,8-10H,3-7H2


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