dimethyl 2,2,3,3-tetracyano-1-(2,2-diphenylethenyl)-1H-azulene-3a,4-dicarboxylate

Systemtic Name: dimethyl 2,2,3,3-tetracyano-1-(2,2-diphenylethenyl)-1H-azulene-3a,4-dicarboxylate Openeye Name: dimethyl 2,2,3,3-tetracyano-1-(2,2-diphenylvinyl)-1H-azulene-3a,4-dicarboxylate CAS Name: 2,2,3,3-tetracyano-1-(2,2-diphenylethenyl)-1H-azulene-3a,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2,2,3,3-tetracyano-1-(2,2-diphenylethenyl)-1H-azulene-3a,4-dicarboxylate Traditional Name: 2,2,3,3-tetracyano-1-(2,2-diphenylvinyl)-1H-azulene-3a,4-dicarboxylic acid dimethyl ester Formula: C32H22N4O4 MolecularWeight: 526.54148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C2C1(C(C(C2C=C(C3=CC=CC=C3)C4=CC=CC=C4)(C#N)C#N)(C#N)C#N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=CC=C2C1(C(C(C2C=C(C3=CC=CC=C3)C4=CC=CC=C4)(C#N)C#N)(C#N)C#N)C(=O)OC

InChI

InChI=1S/C32H22N4O4/c1-39-28(37)26-16-10-9-15-25-27(17-24(22-11-5-3-6-12-22)23-13-7-4-8-14-23)30(18-33,19-34)31(20-35,21-36)32(25,26)29(38)40-2/h3-17,27H,1-2H3