5-hexoxycarbonylbenzene-1,2,4-tricarboxylic acid

Systemtic Name: 5-hexoxycarbonylbenzene-1,2,4-tricarboxylic acid Openeye Name: 5-hexoxycarbonylbenzene-1,2,4-tricarboxylic acid CAS Name: 5-[hexoxy(oxo)methyl]benzene-1,2,4-tricarboxylic acid IUPAC Name: 5-hexoxycarbonylbenzene-1,2,4-tricarboxylic acid Traditional Name: 5-hexoxycarbonyltrimellitic acid Formula: C16H18O8 MolecularWeight: 338.30932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCOC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C16H18O8/c1-2-3-4-5-6-24-16(23)12-8-10(14(19)20)9(13(17)18)7-11(12)15(21)22/h7-8H,2-6H2,1H3,(H,17,18)(H,19,20)(H,21,22)