3-ethyl-2-(2,4,6-triphenylphenyl)-1,3-benzothiazol-3-ium perchlorate

Systemtic Name: 3-ethyl-2-(2,4,6-triphenylphenyl)-1,3-benzothiazol-3-ium perchlorate Openeye Name: 3-ethyl-2-(2,4,6-triphenylphenyl)-1,3-benzothiazol-3-ium perchlorate CAS Name: 3-ethyl-2-(2,4,6-triphenylphenyl)-1,3-benzothiazol-3-ium perchlorate IUPAC Name: 3-ethyl-2-(2,4,6-triphenylphenyl)-1,3-benzothiazol-3-ium perchlorate Traditional Name: 3-ethyl-2-(2,4,6-triphenylphenyl)-1,3-benzothiazol-3-ium perchlorate Formula: C33H26ClNO4S MolecularWeight: 568.08184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H26NS.ClHO4/c1-2-34-30-20-12-13-21-31(30)35-33(34)32-28(25-16-8-4-9-17-25)22-27(24-14-6-3-7-15-24)23-29(32)26-18-10-5-11-19-26;2-1(3,4)5/h3-23H,2H2,1H3;(H,2,3,4,5)/q+1;/p-1