benzene-1,2,3-tricarboxylic acid; benzoic acid; 2-methylbutanedioic acid

Systemtic Name: benzene-1,2,3-tricarboxylic acid; benzoic acid; 2-methylbutanedioic acid Openeye Name: benzene-1,2,3-tricarboxylic acid; benzoic acid; 2-methylbutanedioic acid CAS Name: benzene-1,2,3-tricarboxylic acid; benzoic acid; 2-methylbutanedioic acid IUPAC Name: benzene-1,2,3-tricarboxylic acid; benzoic acid; 2-methylbutanedioic acid Traditional Name: benzoic acid; hemimellitic acid; 2-methylsuccinic acid Formula: C21H20O12 MolecularWeight: 464.3763

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(CC(=O)O)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C9H6O6.C7H6O2.C5H8O4/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15;8-7(9)6-4-2-1-3-5-6;1-3(5(8)9)2-4(6)7/h1-3H,(H,10,11)(H,12,13)(H,14,15);1-5H,(H,8,9);3H,2H2,1H3,(H,6,7)(H,8,9)