3-(2-ethylhexyl)benzene-1,2,4-tricarboxylic acid

Systemtic Name: 3-(2-ethylhexyl)benzene-1,2,4-tricarboxylic acid Openeye Name: 3-(2-ethylhexyl)benzene-1,2,4-tricarboxylic acid CAS Name: 3-(2-ethylhexyl)benzene-1,2,4-tricarboxylic acid IUPAC Name: 3-(2-ethylhexyl)benzene-1,2,4-tricarboxylic acid Traditional Name: 3-(2-ethylhexyl)trimellitic acid Formula: C17H22O6 MolecularWeight: 322.35298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=C(C=CC(=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CC)CC1=C(C=CC(=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C17H22O6/c1-3-5-6-10(4-2)9-13-11(15(18)19)7-8-12(16(20)21)14(13)17(22)23/h7-8,10H,3-6,9H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)