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2,4,6-trinitro-3-pentadecyl-phenol

2,4,6-trinitro-3-pentadecyl-phenol

Systemtic Name:2,4,6-trinitro-3-pentadecyl-phenol
Openeye Name:2,4,6-trinitro-3-pentadecyl-phenol
CAS Name:2,4,6-trinitro-3-pentadecylphenol
IUPAC Name:2,4,6-trinitro-3-pentadecylphenol
Traditional Name:2,4,6-trinitro-3-pentadecyl-phenol
Formula: C21H33N3O7
MolecularWeight: 439.50262
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-]


InChI

InChI=1S/C21H33N3O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(22(26)27)16-19(23(28)29)21(25)20(17)24(30)31/h16,25H,2-15H2,1H3


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