4-butoxycarbonylbenzene-1,3-dicarboxylic acid

Systemtic Name: 4-butoxycarbonylbenzene-1,3-dicarboxylic acid Openeye Name: 4-butoxycarbonylbenzene-1,3-dicarboxylic acid CAS Name: 4-[butoxy(oxo)methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-butoxycarbonylbenzene-1,3-dicarboxylic acid Traditional Name: 4-butoxycarbonylisophthalic acid Formula: C13H14O6 MolecularWeight: 266.24666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C13H14O6/c1-2-3-6-19-13(18)9-5-4-8(11(14)15)7-10(9)12(16)17/h4-5,7H,2-3,6H2,1H3,(H,14,15)(H,16,17)