benzene-1,2,4-tricarboxylic acid; 4-(2,2-dimethylpropoxycarbonyl)benzoic acid

Systemtic Name: benzene-1,2,4-tricarboxylic acid; 4-(2,2-dimethylpropoxycarbonyl)benzoic acid Openeye Name: benzene-1,2,4-tricarboxylic acid; 4-(2,2-dimethylpropoxycarbonyl)benzoic acid CAS Name: benzene-1,2,4-tricarboxylic acid; 4-[2,2-dimethylpropoxy(oxo)methyl]benzoic acid IUPAC Name: benzene-1,2,4-tricarboxylic acid; 4-(2,2-dimethylpropoxycarbonyl)benzoic acid Traditional Name: 4-neopentyloxycarbonylbenzoic acid; trimellitic acid Formula: C22H22O10 MolecularWeight: 446.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)C1=CC=C(C=C1)C(=O)O.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)COC(=O)C1=CC=C(C=C1)C(=O)O.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C13H16O4.C9H6O6/c1-13(2,3)8-17-12(16)10-6-4-9(5-7-10)11(14)15;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h4-7H,8H2,1-3H3,(H,14,15);1-3H,(H,10,11)(H,12,13)(H,14,15)