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

Systemtic Name: tris[1,3-bis(oxidanylidene)-2-benzofuran-5-yl] hexane-1,3,5-tricarboxylate Openeye Name: tris(1,3-dioxoisobenzofuran-5-yl) hexane-1,3,5-tricarboxylate CAS Name: hexane-1,3,5-tricarboxylic acid tris(1,3-dioxo-5-isobenzofuranyl) ester IUPAC Name: tris(1,3-dioxo-2-benzofuran-5-yl) hexane-1,3,5-tricarboxylate Traditional Name: hexane-1,3,5-tricarboxylic acid tris(1,3-diketophthalan-5-yl) ester Formula: C33H20O15 MolecularWeight: 656.5029

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CCC(=O)OC1=CC2=C(C=C1)C(=O)OC2=O)C(=O)OC3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC5=CC6=C(C=C5)C(=O)OC6=O

Isomeric SMILES

CC(CC(CCC(=O)OC1=CC2=C(C=C1)C(=O)OC2=O)C(=O)OC3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC5=CC6=C(C=C5)C(=O)OC6=O

InChI

InChI=1S/C33H20O15/c1-14(26(35)44-17-4-7-20-23(12-17)32(41)47-29(20)38)10-15(27(36)45-18-5-8-21-24(13-18)33(42)48-30(21)39)2-9-25(34)43-16-3-6-19-22(11-16)31(40)46-28(19)37/h3-8,11-15H,2,9-10H2,1H3