3,4-bis(1-cyanoethyl)phthalate

Systemtic Name: 3,4-bis(1-cyanoethyl)phthalate Openeye Name: 3,4-bis(1-cyanoethyl)phthalate CAS Name: 3,4-bis(1-cyanoethyl)phthalate IUPAC Name: 3,4-bis(1-cyanoethyl)phthalate Traditional Name: 3,4-bis(1-cyanoethyl)phthalate Formula: C14H10N2O4-2 MolecularWeight: 270.2402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])C(C)C#N

Isomeric SMILES

CC(C#N)C1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])C(C)C#N

InChI

InChI=1S/C14H12N2O4/c1-7(5-15)9-3-4-10(13(17)18)12(14(19)20)11(9)8(2)6-16/h3-4,7-8H,1-2H3,(H,17,18)(H,19,20)/p-2