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2-(cyclooctatetraenyl)ethyl 3,5-dinitrobenzoate

2-(cyclooctatetraenyl)ethyl 3,5-dinitrobenzoate

Systemtic Name:2-(cyclooctatetraenyl)ethyl 3,5-dinitrobenzoate
Openeye Name:2-(cyclooctatetraenyl)ethyl 3,5-dinitrobenzoate
CAS Name:3,5-dinitrobenzoic acid 2-(cyclooctatetraenyl)ethyl ester
IUPAC Name:2-(cyclooctatetraenyl)ethyl 3,5-dinitrobenzoate
Traditional Name:3,5-dinitrobenzoic acid 2-(cyclooctatetraenyl)ethyl ester
Formula: C17H14N2O6
MolecularWeight: 342.30286
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CC(=CC=C1)CCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C\1=C\C=C/C(=C\C=C1)/CCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C17H14N2O6/c20-17(25-9-8-13-6-4-2-1-3-5-7-13)14-10-15(18(21)22)12-16(11-14)19(23)24/h1-7,10-12H,8-9H2/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,13-6?,13-7+


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