tris[1,3-bis(oxidanylidene)isoindol-4-yl] benzene-1,3,5-tricarboxylate

Systemtic Name: tris[1,3-bis(oxidanylidene)isoindol-4-yl] benzene-1,3,5-tricarboxylate Openeye Name: tris(1,3-dioxoisoindolin-4-yl) benzene-1,3,5-tricarboxylate CAS Name: benzene-1,3,5-tricarboxylic acid tris(1,3-dioxo-4-isoindolyl) ester IUPAC Name: tris(1,3-dioxoisoindol-4-yl) benzene-1,3,5-tricarboxylate Traditional Name: benzene-1,3,5-tricarboxylic acid tris(1,3-diketoisoindolin-4-yl) ester Formula: C33H15N3O12 MolecularWeight: 645.4851

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OC(=O)C3=CC(=CC(=C3)C(=O)OC4=CC=CC5=C4C(=O)NC5=O)C(=O)OC6=CC=CC7=C6C(=O)NC7=O)C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C(=C1)OC(=O)C3=CC(=CC(=C3)C(=O)OC4=CC=CC5=C4C(=O)NC5=O)C(=O)OC6=CC=CC7=C6C(=O)NC7=O)C(=O)NC2=O

InChI

InChI=1S/C33H15N3O12/c37-25-16-4-1-7-19(22(16)28(40)34-25)46-31(43)13-10-14(32(44)47-20-8-2-5-17-23(20)29(41)35-26(17)38)12-15(11-13)33(45)48-21-9-3-6-18-24(21)30(42)36-27(18)39/h1-12H,(H,34,37,40)(H,35,38,41)(H,36,39,42)