2-[2,3-bis[(2,5-dicarboxyphenyl)carbonyloxy]propoxycarbonyl]terephthalic acid

Systemtic Name: 2-[2,3-bis[(2,5-dicarboxyphenyl)carbonyloxy]propoxycarbonyl]terephthalic acid Openeye Name: 2-[2,3-bis[(2,5-dicarboxybenzoyl)oxy]propoxycarbonyl]terephthalic acid CAS Name: 2-[2,3-bis[(2,5-dicarboxyphenyl)-oxomethoxy]propoxy-oxomethyl]terephthalic acid IUPAC Name: 2-[2,3-bis[(2,5-dicarboxybenzoyl)oxy]propoxycarbonyl]terephthalic acid Traditional Name: 2-[2,3-bis[(2,5-dicarboxybenzoyl)oxy]propoxycarbonyl]terephthalic acid Formula: C30H20O18 MolecularWeight: 668.469

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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)OC(=O)C3=C(C=CC(=C3)C(=O)O)C(=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)OC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C30H20O18/c31-22(32)12-1-4-16(25(37)38)19(7-12)28(43)46-10-15(48-30(45)21-9-14(24(35)36)3-6-18(21)27(41)42)11-47-29(44)20-8-13(23(33)34)2-5-17(20)26(39)40/h1-9,15H,10-11H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)