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

Systemtic Name: 2-[4-(4-chlorophenyl)-2,6-diphenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate Openeye Name: 2-[4-(4-chlorophenyl)-2,6-diphenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate CAS Name: 2-[4-(4-chlorophenyl)-2,6-diphenylphenyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate IUPAC Name: 2-[4-(4-chlorophenyl)-2,6-diphenylphenyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate Traditional Name: 2-[4-(4-chlorophenyl)-2,6-diphenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate Formula: C32H23Cl2NO4S MolecularWeight: 588.50032

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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)Cl)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)Cl)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C32H23ClNS.ClHO4/c1-34-29-14-8-9-15-30(29)35-32(34)31-27(23-10-4-2-5-11-23)20-25(22-16-18-26(33)19-17-22)21-28(31)24-12-6-3-7-13-24;2-1(3,4)5/h2-21H,1H3;(H,2,3,4,5)/q+1;/p-1