2-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)phenoxathiine 10,10-dioxide

Systemtic Name: 2-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)phenoxathiine 10,10-dioxide Openeye Name: 2-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)phenoxathiine 10,10-dioxide CAS Name: 2-(2,6-ditert-butyl-4-methyl-1-pyridin-1-iumyl)phenoxathiine 10,10-dioxide IUPAC Name: 2-(2,6-ditert-butyl-4-methylpyridin-1-ium-1-yl)phenoxathiine 10,10-dioxide Traditional Name: 2-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)phenoxathiine 10,10-dioxide Formula: C26H30NO3S+ MolecularWeight: 436.5863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C(C)(C)C)C2=CC3=C(C=C2)OC4=CC=CC=C4S3(=O)=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C(C)(C)C)C2=CC3=C(C=C2)OC4=CC=CC=C4S3(=O)=O)C(C)(C)C

InChI

InChI=1S/C26H30NO3S/c1-17-14-23(25(2,3)4)27(24(15-17)26(5,6)7)18-12-13-20-22(16-18)31(28,29)21-11-9-8-10-19(21)30-20/h8-16H,1-7H3/q+1