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tris(phenylmethyl) 5-nitroheptane-1,3,7-tricarboxylate

tris(phenylmethyl) 5-nitroheptane-1,3,7-tricarboxylate

Systemtic Name:tris(phenylmethyl) 5-nitroheptane-1,3,7-tricarboxylate
Openeye Name:tribenzyl 5-nitroheptane-1,3,7-tricarboxylate
CAS Name:5-nitroheptane-1,3,7-tricarboxylic acid tris(phenylmethyl) ester
IUPAC Name:tribenzyl 5-nitroheptane-1,3,7-tricarboxylate
Traditional Name:5-nitroheptane-1,3,7-tricarboxylic acid tribenzyl ester
Formula: C31H33NO8
MolecularWeight: 547.59562
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC(CC(CCC(=O)OCC2=CC=CC=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3


Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCC(CC(CCC(=O)OCC2=CC=CC=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3


InChI

InChI=1S/C31H33NO8/c33-29(38-21-24-10-4-1-5-11-24)18-16-27(31(35)40-23-26-14-8-3-9-15-26)20-28(32(36)37)17-19-30(34)39-22-25-12-6-2-7-13-25/h1-15,27-28H,16-23H2


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