6-[2-(2,3,5-tricarboxyphenyl)ethyl]benzene-1,2,4-tricarboxylic acid

Systemtic Name: 6-[2-(2,3,5-tricarboxyphenyl)ethyl]benzene-1,2,4-tricarboxylic acid Openeye Name: 6-[2-(2,3,5-tricarboxyphenyl)ethyl]benzene-1,2,4-tricarboxylic acid CAS Name: 6-[2-(2,3,5-tricarboxyphenyl)ethyl]benzene-1,2,4-tricarboxylic acid IUPAC Name: 6-[2-(2,3,5-tricarboxyphenyl)ethyl]benzene-1,2,4-tricarboxylic acid Traditional Name: 6-[2-(2,3,5-tricarboxyphenyl)ethyl]trimellitic acid Formula: C20H14O12 MolecularWeight: 446.31796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1C(=O)O)C(=O)O)CCC2=CC(=CC(=C2C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1C(=O)O)C(=O)O)CCC2=CC(=CC(=C2C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C20H14O12/c21-15(22)9-3-7(13(19(29)30)11(5-9)17(25)26)1-2-8-4-10(16(23)24)6-12(18(27)28)14(8)20(31)32/h3-6H,1-2H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)