2-tridecoxycarbonylterephthalic acid

Systemtic Name: 2-tridecoxycarbonylterephthalic acid Openeye Name: 2-tridecoxycarbonylterephthalic acid CAS Name: 2-[oxo(tridecoxy)methyl]terephthalic acid IUPAC Name: 2-tridecoxycarbonylterephthalic acid Traditional Name: 2-tridecoxycarbonylterephthalic acid Formula: C22H32O6 MolecularWeight: 392.48588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)C1=C(C=CC(=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)19-16-17(20(23)24)13-14-18(19)21(25)26/h13-14,16H,2-12,15H2,1H3,(H,23,24)(H,25,26)