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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C18H22O8/c1-2-3-4-5-6-7-8-26-18(25)14-10-12(16(21)22)11(15(19)20)9-13(14)17(23)24/h9-10H,2-8H2,1H3,(H,19,20)(H,21,22)(H,23,24)