2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)phenoxathiine 10,10-dioxide perchlorate

Systemtic Name: 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)phenoxathiine 10,10-dioxide perchlorate Openeye Name: 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)phenoxathiine 10,10-dioxide perchlorate CAS Name: 2-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)phenoxathiine 10,10-dioxide perchlorate IUPAC Name: 2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)phenoxathiine 10,10-dioxide perchlorate Traditional Name: 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)phenoxathiine 10,10-dioxide perchlorate Formula: C25H20ClNO7S MolecularWeight: 513.9468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20NO3S.ClHO4/c1-17-14-20(19-8-4-3-5-9-19)15-18(2)26(17)21-12-13-23-25(16-21)30(27,28)24-11-7-6-10-22(24)29-23;2-1(3,4)5/h3-16H,1-2H3;(H,2,3,4,5)/q+1;/p-1