2-[3-(2,5-dicarboxyphenyl)carbonyloxy-2-oxidanyl-propoxy]carbonylterephthalic acid

Systemtic Name: 2-[3-(2,5-dicarboxyphenyl)carbonyloxy-2-oxidanyl-propoxy]carbonylterephthalic acid Openeye Name: 2-[3-(2,5-dicarboxybenzoyl)oxy-2-hydroxy-propoxy]carbonylterephthalic acid CAS Name: 2-[[3-[(2,5-dicarboxyphenyl)-oxomethoxy]-2-hydroxypropoxy]-oxomethyl]terephthalic acid IUPAC Name: 2-[3-(2,5-dicarboxybenzoyl)oxy-2-hydroxypropoxy]carbonylterephthalic acid Traditional Name: 2-[3-(2,5-dicarboxybenzoyl)oxy-2-hydroxy-propoxy]carbonylterephthalic acid Formula: C21H16O13 MolecularWeight: 476.34394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C(=O)OCC(COC(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C(=O)OCC(COC(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O)O)C(=O)O

InChI

InChI=1S/C21H16O13/c22-11(7-33-20(31)14-5-9(16(23)24)1-3-12(14)18(27)28)8-34-21(32)15-6-10(17(25)26)2-4-13(15)19(29)30/h1-6,11,22H,7-8H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)