tris[1,3-bis(oxidanylidene)-2-benzofuran-5-yl] benzene-1,3,5-tricarboxylate

Systemtic Name: tris[1,3-bis(oxidanylidene)-2-benzofuran-5-yl] benzene-1,3,5-tricarboxylate Openeye Name: tris(1,3-dioxoisobenzofuran-5-yl) benzene-1,3,5-tricarboxylate CAS Name: benzene-1,3,5-tricarboxylic acid tris(1,3-dioxo-5-isobenzofuranyl) ester IUPAC Name: tris(1,3-dioxo-2-benzofuran-5-yl) benzene-1,3,5-tricarboxylate Traditional Name: benzene-1,3,5-tricarboxylic acid tris(1,3-diketophthalan-5-yl) ester Formula: C33H12O15 MolecularWeight: 648.43938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OC(=O)C3=CC(=CC(=C3)C(=O)OC4=CC5=C(C=C4)C(=O)OC5=O)C(=O)OC6=CC7=C(C=C6)C(=O)OC7=O)C(=O)OC2=O

Isomeric SMILES

C1=CC2=C(C=C1OC(=O)C3=CC(=CC(=C3)C(=O)OC4=CC5=C(C=C4)C(=O)OC5=O)C(=O)OC6=CC7=C(C=C6)C(=O)OC7=O)C(=O)OC2=O

InChI

InChI=1S/C33H12O15/c34-25(43-16-1-4-19-22(10-16)31(40)46-28(19)37)13-7-14(26(35)44-17-2-5-20-23(11-17)32(41)47-29(20)38)9-15(8-13)27(36)45-18-3-6-21-24(12-18)33(42)48-30(21)39/h1-12H