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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14O12/c21-15(22)9-3-5-11(17(25)26)13(19(29)30)7(9)1-2-8-10(16(23)24)4-6-12(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)