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benzene-1,2,4-tricarboxylic acid; butanoic acid; terephthalic acid

benzene-1,2,4-tricarboxylic acid; butanoic acid; terephthalic acid

Systemtic Name:benzene-1,2,4-tricarboxylic acid; butanoic acid; terephthalic acid
Openeye Name:benzene-1,2,4-tricarboxylic acid; butyric acid; terephthalic acid
CAS Name:benzene-1,2,4-tricarboxylic acid; butanoic acid; terephthalic acid
IUPAC Name:benzene-1,2,4-tricarboxylic acid; butanoic acid; terephthalic acid
Traditional Name:butyric acid; terephthalic acid; trimellitic acid
Formula: C21H20O12
MolecularWeight: 464.3763
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=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

CCCC(=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/C9H6O6.C8H6O4.C4H8O2/c10-7(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;1-2-3-4(5)6/h1-3H,(H,10,11)(H,12,13)(H,14,15);1-4H,(H,9,10)(H,11,12);2-3H2,1H3,(H,5,6)


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