4-tridecoxycarbonylbenzene-1,3-dicarboxylic acid

Systemtic Name: 4-tridecoxycarbonylbenzene-1,3-dicarboxylic acid Openeye Name: 4-tridecoxycarbonylbenzene-1,3-dicarboxylic acid CAS Name: 4-[oxo(tridecoxy)methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-tridecoxycarbonylbenzene-1,3-dicarboxylic acid Traditional Name: 4-tridecoxycarbonylisophthalic acid Formula: C22H32O6 MolecularWeight: 392.48588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C22H32O6/c1-2-3-4-5-6-7-8-9-10-11-12-15-28-22(27)18-14-13-17(20(23)24)16-19(18)21(25)26/h13-14,16H,2-12,15H2,1H3,(H,23,24)(H,25,26)