[9-[2-(2,2-dicyanoethanoyl)phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [9-[2-(2,2-dicyanoethanoyl)phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-[2-(2,2-dicyanoacetyl)phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [9-[2-(2,2-dicyano-1-oxoethyl)phenyl]-6-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [9-[2-(2,2-dicyanoacetyl)phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [9-[2-(2,2-dicyanoacetyl)phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C31H31N4O2+ MolecularWeight: 491.60344

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)C(C#N)C#N

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)C(C#N)C#N

InChI

InChI=1S/C31H31N4O2/c1-5-34(6-2)22-13-15-26-28(17-22)37-29-18-23(35(7-3)8-4)14-16-27(29)30(26)24-11-9-10-12-25(24)31(36)21(19-32)20-33/h9-18,21H,5-8H2,1-4H3/q+1