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2-acetyloxy-3,4-dinitro-6-pentadecyl-benzoic acid

2-acetyloxy-3,4-dinitro-6-pentadecyl-benzoic acid

Systemtic Name:2-acetyloxy-3,4-dinitro-6-pentadecyl-benzoic acid
Openeye Name:2-acetoxy-3,4-dinitro-6-pentadecyl-benzoic acid
CAS Name:2-acetyloxy-3,4-dinitro-6-pentadecylbenzoic acid
IUPAC Name:2-acetyloxy-3,4-dinitro-6-pentadecylbenzoic acid
Traditional Name:2-acetoxy-3,4-dinitro-6-pentadecyl-benzoic acid
Formula: C24H36N2O8
MolecularWeight: 480.55124
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=C(C(=C1C(=O)O)OC(=O)C)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=C(C(=C1C(=O)O)OC(=O)C)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C24H36N2O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-20(25(30)31)22(26(32)33)23(34-18(2)27)21(19)24(28)29/h17H,3-16H2,1-2H3,(H,28,29)


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