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(Z)-2-[2-(2,8-dinitrooctyl)phenyl]but-2-enoic acid

(Z)-2-[2-(2,8-dinitrooctyl)phenyl]but-2-enoic acid

Systemtic Name:(Z)-2-[2-(2,8-dinitrooctyl)phenyl]but-2-enoic acid
Openeye Name:(Z)-2-[2-(2,8-dinitrooctyl)phenyl]but-2-enoic acid
CAS Name:(Z)-2-[2-(2,8-dinitrooctyl)phenyl]-2-butenoic acid
IUPAC Name:(Z)-2-[2-(2,8-dinitrooctyl)phenyl]but-2-enoic acid
Traditional Name:(Z)-2-[2-(2,8-dinitrooctyl)phenyl]but-2-enoic acid
Formula: C18H24N2O6
MolecularWeight: 364.39296
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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C1=CC=CC=C1CC(CCCCCC[N+](=O)[O-])[N+](=O)[O-])C(=O)O


Isomeric SMILES

C/C=C(/C1=CC=CC=C1CC(CCCCCC[N+](=O)[O-])[N+](=O)[O-])\C(=O)O


InChI

InChI=1S/C18H24N2O6/c1-2-16(18(21)22)17-11-7-6-9-14(17)13-15(20(25)26)10-5-3-4-8-12-19(23)24/h2,6-7,9,11,15H,3-5,8,10,12-13H2,1H3,(H,21,22)/b16-2-


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