tris[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] benzene-1,3,5-tricarboxylate

Systemtic Name: tris[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] benzene-1,3,5-tricarboxylate Openeye Name: tris[2-(4-nitrophenyl)-2-oxo-ethyl] benzene-1,3,5-tricarboxylate CAS Name: benzene-1,3,5-tricarboxylic acid tris[2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: tris[2-(4-nitrophenyl)-2-oxoethyl] benzene-1,3,5-tricarboxylate Traditional Name: benzene-1,3,5-tricarboxylic acid tris[2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C33H21N3O15 MolecularWeight: 699.53094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C33H21N3O15/c37-28(19-1-7-25(8-2-19)34(43)44)16-49-31(40)22-13-23(32(41)50-17-29(38)20-3-9-26(10-4-20)35(45)46)15-24(14-22)33(42)51-18-30(39)21-5-11-27(12-6-21)36(47)48/h1-15H,16-18H2