[4-(2,6-diphenylpyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium sulfate

Systemtic Name: [4-(2,6-diphenylpyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium sulfate Openeye Name: [4-(2,6-diphenylpyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium sulfate CAS Name: [4-(2,6-diphenyl-4-pyranylidene)-1-cyclohexa-2,5-dienylidene]-dimethylammonium sulfate IUPAC Name: [4-(2,6-diphenylpyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium sulfate Traditional Name: [4-(2,6-diphenylpyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium sulfate Formula: C50H44N2O6S MolecularWeight: 800.95916

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C1C=CC(=C2C=C(OC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C=C1)C.C[N+](=C1C=CC(=C2C=C(OC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C=C1)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C[N+](=C1C=CC(=C2C=C(OC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C=C1)C.C[N+](=C1C=CC(=C2C=C(OC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C=C1)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C25H22NO.H2O4S/c2*1-26(2)23-15-13-19(14-16-23)22-17-24(20-9-5-3-6-10-20)27-25(18-22)21-11-7-4-8-12-21;1-5(2,3)4/h2*3-18H,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2