2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile; 10-docosylacridin-10-ium

Systemtic Name: 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile; 10-docosylacridin-10-ium Openeye Name: 2-[4-(dicyanomethylene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile; 10-docosylacridin-10-ium CAS Name: 2-[4-(dicyanomethylidene)-1-cyclohexa-2,5-dienylidene]propanedinitrile; 10-docosylacridin-10-ium IUPAC Name: 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile; 10-docosylacridin-10-ium Traditional Name: 10-behenylacridin-10-ium; 2-[4-(dicyanomethylene)cyclohexa-2,5-dien-1-ylidene]malononitrile Formula: C59H62N9+ MolecularWeight: 897.18388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC[N+]1=C2C=CC=CC2=CC3=CC=CC=C31.C1=CC(=C(C#N)C#N)C=CC1=C(C#N)C#N.C1=CC(=C(C#N)C#N)C=CC1=C(C#N)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC[N+]1=C2C=CC=CC2=CC3=CC=CC=C31.C1=CC(=C(C#N)C#N)C=CC1=C(C#N)C#N.C1=CC(=C(C#N)C#N)C=CC1=C(C#N)C#N

InChI

InChI=1S/C35H54N.2C12H4N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-30-36-34-28-23-21-26-32(34)31-33-27-22-24-29-35(33)36;2*13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h21-24,26-29,31H,2-20,25,30H2,1H3;2*1-4H/q+1;;