calcium 1-[9,10-bis(dicyanomethylidene)anthracen-2-yl]-2,2-dicyano-ethenolate

Systemtic Name: calcium 1-[9,10-bis(dicyanomethylidene)anthracen-2-yl]-2,2-dicyano-ethenolate Openeye Name: calcium 1-[9,10-bis(dicyanomethylene)-2-anthryl]-2,2-dicyano-ethenolate CAS Name: calcium 1-[9,10-bis(dicyanomethylidene)-2-anthracenyl]-2,2-dicyanoethenolate IUPAC Name: calcium 1-[9,10-bis(dicyanomethylidene)anthracen-2-yl]-2,2-dicyanoethenolate Traditional Name: calcium 1-[9,10-bis(dicyanomethylene)-2-anthryl]-2,2-dicyano-ethenolate Formula: C48H14CaN12O2 MolecularWeight: 830.78196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C#N)C#N)C3=C(C2=C(C#N)C#N)C=C(C=C3)C(=C(C#N)C#N)[O-].C1=CC=C2C(=C1)C(=C(C#N)C#N)C3=C(C2=C(C#N)C#N)C=C(C=C3)C(=C(C#N)C#N)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C#N)C#N)C3=C(C2=C(C#N)C#N)C=C(C=C3)C(=C(C#N)C#N)[O-].C1=CC=C2C(=C1)C(=C(C#N)C#N)C3=C(C2=C(C#N)C#N)C=C(C=C3)C(=C(C#N)C#N)[O-].[Ca+2]

InChI

InChI=1S/2C24H8N6O.Ca/c2*25-8-15(9-26)22-18-3-1-2-4-19(18)23(16(10-27)11-28)21-7-14(5-6-20(21)22)24(31)17(12-29)13-30;/h2*1-7,31H;/q;;+2/p-2