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

Systemtic Name: 2-[4-(4-methoxyphenyl)-2,6-diphenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate Openeye Name: 2-[4-(4-methoxyphenyl)-2,6-diphenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate CAS Name: 2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate IUPAC Name: 2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate Traditional Name: 2-[4-(4-methoxyphenyl)-2,6-diphenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate Formula: C33H26ClNO5S MolecularWeight: 584.08124

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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.[O-]Cl(=O)(=O)=O

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.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C33H26NOS.ClHO4/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;2-1(3,4)5/h3-22H,1-2H3;(H,2,3,4,5)/q+1;/p-1