acridine; bis(2-cyanoethyl) hydrogen phosphate

Systemtic Name: acridine; bis(2-cyanoethyl) hydrogen phosphate Openeye Name: acridine; bis(2-cyanoethyl) hydrogen phosphate CAS Name: acridine; bis(2-cyanoethyl) hydrogen phosphate IUPAC Name: acridine; bis(2-cyanoethyl) hydrogen phosphate Traditional Name: acridine; bis(2-cyanoethyl) hydrogen phosphate Formula: C19H18N3O4P MolecularWeight: 383.337681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=N2.C(COP(=O)(O)OCCC#N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=N2.C(COP(=O)(O)OCCC#N)C#N

InChI

InChI=1S/C13H9N.C6H9N2O4P/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;7-3-1-5-11-13(9,10)12-6-2-4-8/h1-9H;1-2,5-6H2,(H,9,10)