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2,6-ditert-butyl-4-methyl-1-phenoxathiin-2-yl-pyridin-1-ium

2,6-ditert-butyl-4-methyl-1-phenoxathiin-2-yl-pyridin-1-ium

Systemtic Name:2,6-ditert-butyl-4-methyl-1-phenoxathiin-2-yl-pyridin-1-ium
Openeye Name:2,6-ditert-butyl-4-methyl-1-phenoxathiin-2-yl-pyridin-1-ium
CAS Name:2,6-ditert-butyl-4-methyl-1-(2-phenoxathiinyl)pyridin-1-ium
IUPAC Name:2,6-ditert-butyl-4-methyl-1-phenoxathiin-2-ylpyridin-1-ium
Traditional Name:2,6-ditert-butyl-4-methyl-1-phenoxathiin-2-yl-pyridin-1-ium
Formula: C26H30NOS+
MolecularWeight: 404.5875
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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)C(C)(C)C


Isomeric SMILES

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


InChI

InChI=1S/C26H30NOS/c1-17-14-23(25(2,3)4)27(24(15-17)26(5,6)7)18-12-13-20-22(16-18)29-21-11-9-8-10-19(21)28-20/h8-16H,1-7H3/q+1


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