ethoxy-[(2S)-3,3,4,4-tetracyano-6-oxidanylidene-2-phenyl-cyclohexylidene]methanolate

Systemtic Name: ethoxy-[(2S)-3,3,4,4-tetracyano-6-oxidanylidene-2-phenyl-cyclohexylidene]methanolate Openeye Name: ethoxy-[(2S)-3,3,4,4-tetracyano-6-oxo-2-phenyl-cyclohexylidene]methanolate CAS Name: ethoxy-[(2S)-3,3,4,4-tetracyano-6-oxo-2-phenylcyclohexylidene]methanolate IUPAC Name: ethoxy-[(2S)-3,3,4,4-tetracyano-6-oxo-2-phenylcyclohexylidene]methanolate Traditional Name: ethoxy-[(2S)-3,3,4,4-tetracyano-6-keto-2-phenyl-cyclohexylidene]methanolate Formula: C19H13N4O3- MolecularWeight: 345.33152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(C(C(CC1=O)(C#N)C#N)(C#N)C#N)C2=CC=CC=C2)[O-]

Isomeric SMILES

CCOC(=C1[C@H](C(C(CC1=O)(C#N)C#N)(C#N)C#N)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C19H14N4O3/c1-2-26-17(25)15-14(24)8-18(9-20,10-21)19(11-22,12-23)16(15)13-6-4-3-5-7-13/h3-7,16,25H,2,8H2,1H3/p-1/t16-/m1/s1