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

Systemtic Name: [4-(2,6-diphenylpyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: [4-(2,6-diphenylpyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: [4-(2,6-diphenyl-4-pyranylidene)-1-cyclohexa-2,5-dienylidene]-dimethylammonium; 4-methylbenzenesulfonate IUPAC Name: [4-(2,6-diphenylpyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium; 4-methylbenzenesulfonate Traditional Name: [4-(2,6-diphenylpyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium tosylate Formula: C32H29NO4S MolecularWeight: 523.64196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](=C1C=CC(=C2C=C(OC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C=C1)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](=C1C=CC(=C2C=C(OC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C=C1)C

InChI

InChI=1S/C25H22NO.C7H8O3S/c1-26(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;1-6-2-4-7(5-3-6)11(8,9)10/h3-18H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1