2,4-dibutylbenzene-1,3,5-tricarboxylic acid

Systemtic Name: 2,4-dibutylbenzene-1,3,5-tricarboxylic acid Openeye Name: 2,4-dibutylbenzene-1,3,5-tricarboxylic acid CAS Name: 2,4-dibutylbenzene-1,3,5-tricarboxylic acid IUPAC Name: 2,4-dibutylbenzene-1,3,5-tricarboxylic acid Traditional Name: 2,4-dibutyltrimesic acid Formula: C17H22O6 MolecularWeight: 322.35298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1C(=O)O)C(=O)O)CCCC)C(=O)O

Isomeric SMILES

CCCCC1=C(C(=C(C=C1C(=O)O)C(=O)O)CCCC)C(=O)O

InChI

InChI=1S/C17H22O6/c1-3-5-7-10-12(15(18)19)9-13(16(20)21)11(8-6-4-2)14(10)17(22)23/h9H,3-8H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)