2-[4-(4-methoxyphenyl)-2,6-diphenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[4-(4-methoxyphenyl)-2,6-diphenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium Openeye Name: 2-[4-(4-methoxyphenyl)-2,6-diphenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium CAS Name: 2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-3-methyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-3-methyl-1,3-benzothiazol-3-ium Traditional Name: 2-[4-(4-methoxyphenyl)-2,6-diphenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium Formula: C33H26NOS+ MolecularWeight: 484.63064

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=C(C=C5)OC)C6=CC=CC=C6

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)C3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=C(C=C5)OC)C6=CC=CC=C6

InChI

InChI=1S/C33H26NOS/c1-34-30-15-9-10-16-31(30)36-33(34)32-28(24-11-5-3-6-12-24)21-26(23-17-19-27(35-2)20-18-23)22-29(32)25-13-7-4-8-14-25/h3-22H,1-2H3/q+1