2-(3-chlorophenyl)-5-dibenzothiophen-2-yl-4-phenyl-3H-pyrrol-1-ium

Systemtic Name: 2-(3-chlorophenyl)-5-dibenzothiophen-2-yl-4-phenyl-3H-pyrrol-1-ium Openeye Name: 2-(3-chlorophenyl)-5-dibenzothiophen-2-yl-4-phenyl-3H-pyrrol-1-ium CAS Name: 2-(3-chlorophenyl)-5-(2-dibenzothiophenyl)-4-phenyl-3H-pyrrol-1-ium IUPAC Name: 2-(3-chlorophenyl)-5-dibenzothiophen-2-yl-4-phenyl-3H-pyrrol-1-ium Traditional Name: 2-(3-chlorophenyl)-5-dibenzothiophen-2-yl-4-phenyl-3H-pyrrol-1-ium Formula: C28H19ClNS+ MolecularWeight: 436.97516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C([NH+]=C1C2=CC(=CC=C2)Cl)C3=CC4=C(C=C3)SC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

C1C(=C([NH+]=C1C2=CC(=CC=C2)Cl)C3=CC4=C(C=C3)SC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C28H18ClNS/c29-21-10-6-9-19(15-21)25-17-23(18-7-2-1-3-8-18)28(30-25)20-13-14-27-24(16-20)22-11-4-5-12-26(22)31-27/h1-16H,17H2/p+1