4-[3-(2,4-dicarboxyphenyl)carbonyloxy-2-oxidanyl-propoxy]carbonylbenzene-1,3-dicarboxylic acid

Systemtic Name: 4-[3-(2,4-dicarboxyphenyl)carbonyloxy-2-oxidanyl-propoxy]carbonylbenzene-1,3-dicarboxylic acid Openeye Name: 4-[3-(2,4-dicarboxybenzoyl)oxy-2-hydroxy-propoxy]carbonylbenzene-1,3-dicarboxylic acid CAS Name: 4-[[3-[(2,4-dicarboxyphenyl)-oxomethoxy]-2-hydroxypropoxy]-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[3-(2,4-dicarboxybenzoyl)oxy-2-hydroxypropoxy]carbonylbenzene-1,3-dicarboxylic acid Traditional Name: 4-[3-(2,4-dicarboxybenzoyl)oxy-2-hydroxy-propoxy]carbonylisophthalic acid Formula: C21H16O13 MolecularWeight: 476.34394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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