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

Systemtic Name: 2-[2,6-bis(4-chlorophenyl)-4-phenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium Openeye Name: 2-[2,6-bis(4-chlorophenyl)-4-phenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium CAS Name: 2-[2,6-bis(4-chlorophenyl)-4-phenylphenyl]-3-methyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[2,6-bis(4-chlorophenyl)-4-phenylphenyl]-3-methyl-1,3-benzothiazol-3-ium Traditional Name: 2-[2,6-bis(4-chlorophenyl)-4-phenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium Formula: C32H22Cl2NS+ MolecularWeight: 523.49478

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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=C(C=C4)Cl)C5=CC=CC=C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

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

InChI

InChI=1S/C32H22Cl2NS/c1-35-29-9-5-6-10-30(29)36-32(35)31-27(22-11-15-25(33)16-12-22)19-24(21-7-3-2-4-8-21)20-28(31)23-13-17-26(34)18-14-23/h2-20H,1H3/q+1