2-methyl-1-phenoxathiin-2-yl-4,6-diphenyl-pyridin-1-ium perchlorate

Systemtic Name: 2-methyl-1-phenoxathiin-2-yl-4,6-diphenyl-pyridin-1-ium perchlorate Openeye Name: 2-methyl-1-phenoxathiin-2-yl-4,6-diphenyl-pyridin-1-ium perchlorate CAS Name: 2-methyl-1-(2-phenoxathiinyl)-4,6-diphenylpyridin-1-ium perchlorate IUPAC Name: 2-methyl-1-phenoxathiin-2-yl-4,6-diphenylpyridin-1-ium perchlorate Traditional Name: 2-methyl-1-phenoxathiin-2-yl-4,6-diphenyl-pyridin-1-ium perchlorate Formula: C30H22ClNO5S MolecularWeight: 544.01738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C2=CC3=C(C=C2)OC4=CC=CC=C4S3)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=CC(=[N+]1C2=CC3=C(C=C2)OC4=CC=CC=C4S3)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C30H22NOS.ClHO4/c1-21-18-24(22-10-4-2-5-11-22)19-26(23-12-6-3-7-13-23)31(21)25-16-17-28-30(20-25)33-29-15-9-8-14-27(29)32-28;2-1(3,4)5/h2-20H,1H3;(H,2,3,4,5)/q+1;/p-1