5-(2-ethylhexoxycarbonyl)benzene-1,2,4-tricarboxylic acid

Systemtic Name: 5-(2-ethylhexoxycarbonyl)benzene-1,2,4-tricarboxylic acid Openeye Name: 5-(2-ethylhexoxycarbonyl)benzene-1,2,4-tricarboxylic acid CAS Name: 5-[2-ethylhexoxy(oxo)methyl]benzene-1,2,4-tricarboxylic acid IUPAC Name: 5-(2-ethylhexoxycarbonyl)benzene-1,2,4-tricarboxylic acid Traditional Name: 5-(2-ethylhexoxycarbonyl)trimellitic acid Formula: C18H22O8 MolecularWeight: 366.36248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CC)COC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C18H22O8/c1-3-5-6-10(4-2)9-26-18(25)14-8-12(16(21)22)11(15(19)20)7-13(14)17(23)24/h7-8,10H,3-6,9H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)