tetrakis(phenylmethyl) 5-nitrononane-1,3,7,9-tetracarboxylate

Systemtic Name: tetrakis(phenylmethyl) 5-nitrononane-1,3,7,9-tetracarboxylate Openeye Name: tetrabenzyl 5-nitrononane-1,3,7,9-tetracarboxylate CAS Name: 5-nitrononane-1,3,7,9-tetracarboxylic acid tetrakis(phenylmethyl) ester IUPAC Name: tetrabenzyl 5-nitrononane-1,3,7,9-tetracarboxylate Traditional Name: 5-nitrononane-1,3,7,9-tetracarboxylic acid tetrabenzyl ester Formula: C41H43NO10 MolecularWeight: 709.78082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC(CC(CC(CCC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCC(CC(CC(CCC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C41H43NO10/c43-38(49-27-31-13-5-1-6-14-31)23-21-35(40(45)51-29-33-17-9-3-10-18-33)25-37(42(47)48)26-36(41(46)52-30-34-19-11-4-12-20-34)22-24-39(44)50-28-32-15-7-2-8-16-32/h1-20,35-37H,21-30H2