4-[3,5-bis[(2,4-dicarboxyphenoxy)carbonyl]phenyl]carbonyloxybenzene-1,3-dicarboxylic acid

Systemtic Name: 4-[3,5-bis[(2,4-dicarboxyphenoxy)carbonyl]phenyl]carbonyloxybenzene-1,3-dicarboxylic acid Openeye Name: 4-[3,5-bis[(2,4-dicarboxyphenoxy)carbonyl]benzoyl]oxybenzene-1,3-dicarboxylic acid CAS Name: 4-[[3,5-bis[(2,4-dicarboxyphenoxy)-oxomethyl]phenyl]-oxomethoxy]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[3,5-bis[(2,4-dicarboxyphenoxy)carbonyl]benzoyl]oxybenzene-1,3-dicarboxylic acid Traditional Name: 4-[3,5-bis[(2,4-dicarboxyphenoxy)carbonyl]benzoyl]oxyisophthalic acid Formula: C33H18O18 MolecularWeight: 702.48522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C(=O)O)OC(=O)C2=CC(=CC(=C2)C(=O)OC3=C(C=C(C=C3)C(=O)O)C(=O)O)C(=O)OC4=C(C=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C(=O)O)OC(=O)C2=CC(=CC(=C2)C(=O)OC3=C(C=C(C=C3)C(=O)O)C(=O)O)C(=O)OC4=C(C=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C33H18O18/c34-25(35)13-1-4-22(19(10-13)28(40)41)49-31(46)16-7-17(32(47)50-23-5-2-14(26(36)37)11-20(23)29(42)43)9-18(8-16)33(48)51-24-6-3-15(27(38)39)12-21(24)30(44)45/h1-12H,(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)