3-octylbenzene-1,2,4-tricarboxylic acid

Systemtic Name: 3-octylbenzene-1,2,4-tricarboxylic acid Openeye Name: 3-octylbenzene-1,2,4-tricarboxylic acid CAS Name: 3-octylbenzene-1,2,4-tricarboxylic acid IUPAC Name: 3-octylbenzene-1,2,4-tricarboxylic acid Traditional Name: 3-octyltrimellitic acid Formula: C17H22O6 MolecularWeight: 322.35298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CC(=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC1=C(C=CC(=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C17H22O6/c1-2-3-4-5-6-7-8-11-12(15(18)19)9-10-13(16(20)21)14(11)17(22)23/h9-10H,2-8H2,1H3,(H,18,19)(H,20,21)(H,22,23)