benzene-1,2,4-tricarboxylic acid; 4-(4-hydroxyphenyl)butanoic acid; terephthalic acid

Systemtic Name: benzene-1,2,4-tricarboxylic acid; 4-(4-hydroxyphenyl)butanoic acid; terephthalic acid Openeye Name: benzene-1,2,4-tricarboxylic acid; 4-(4-hydroxyphenyl)butanoic acid; terephthalic acid CAS Name: benzene-1,2,4-tricarboxylic acid; 4-(4-hydroxyphenyl)butanoic acid; terephthalic acid IUPAC Name: benzene-1,2,4-tricarboxylic acid; 4-(4-hydroxyphenyl)butanoic acid; terephthalic acid Traditional Name: 4-(4-hydroxyphenyl)butyric acid; terephthalic acid; trimellitic acid Formula: C27H24O13 MolecularWeight: 556.47166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(=O)O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCC(=O)O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C10H12O3.C9H6O6.C8H6O4/c11-9-6-4-8(5-7-9)2-1-3-10(12)13;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;9-7(10)5-1-2-6(4-3-5)8(11)12/h4-7,11H,1-3H2,(H,12,13);1-3H,(H,10,11)(H,12,13)(H,14,15);1-4H,(H,9,10)(H,11,12)