2-[1-(2,5-dicarboxyphenyl)carbonyloxybutoxycarbonyl]terephthalic acid

Systemtic Name: 2-[1-(2,5-dicarboxyphenyl)carbonyloxybutoxycarbonyl]terephthalic acid Openeye Name: 2-[1-(2,5-dicarboxybenzoyl)oxybutoxycarbonyl]terephthalic acid CAS Name: 2-[1-[(2,5-dicarboxyphenyl)-oxomethoxy]butoxy-oxomethyl]terephthalic acid IUPAC Name: 2-[1-(2,5-dicarboxybenzoyl)oxybutoxycarbonyl]terephthalic acid Traditional Name: 2-[1-(2,5-dicarboxybenzoyl)oxybutoxycarbonyl]terephthalic acid Formula: C22H18O12 MolecularWeight: 474.37112

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(OC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O)OC(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCC(OC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O)OC(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C22H18O12/c1-2-3-16(33-21(31)14-8-10(17(23)24)4-6-12(14)19(27)28)34-22(32)15-9-11(18(25)26)5-7-13(15)20(29)30/h4-9,16H,2-3H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)