2-(1-cyanoethoxycarbonyl)terephthalic acid

Systemtic Name: 2-(1-cyanoethoxycarbonyl)terephthalic acid Openeye Name: 2-(1-cyanoethoxycarbonyl)terephthalic acid CAS Name: 2-[1-cyanoethoxy(oxo)methyl]terephthalic acid IUPAC Name: 2-(1-cyanoethoxycarbonyl)terephthalic acid Traditional Name: 2-(1-cyanoethoxycarbonyl)terephthalic acid Formula: C12H9NO6 MolecularWeight: 263.20296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C#N)OC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C12H9NO6/c1-6(5-13)19-12(18)9-4-7(10(14)15)2-3-8(9)11(16)17/h2-4,6H,1H3,(H,14,15)(H,16,17)