8-methyl-3-phenyl-6-phenylperoxysulfanyl-2H-1,3-benzoxazin-3-ium

Systemtic Name: 8-methyl-3-phenyl-6-phenylperoxysulfanyl-2H-1,3-benzoxazin-3-ium Openeye Name: 8-methyl-3-phenyl-6-phenylperoxysulfanyl-2H-1,3-benzoxazin-3-ium CAS Name: 8-methyl-3-phenyl-2H-1,3-benzoxazin-3-ium-6-sulfenic acid phenoxy ester IUPAC Name: 8-methyl-3-phenyl-6-phenylperoxysulfanyl-2H-1,3-benzoxazin-3-ium Traditional Name: 8-methyl-3-phenyl-6-(phenylperoxythio)-2H-1,3-benzoxazin-3-ium Formula: C21H18NO3S+ MolecularWeight: 364.43752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)SOOC3=CC=CC=C3)C=[N+](CO2)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC(=C1)SOOC3=CC=CC=C3)C=[N+](CO2)C4=CC=CC=C4

InChI

InChI=1S/C21H18NO3S/c1-16-12-20(26-25-24-19-10-6-3-7-11-19)13-17-14-22(15-23-21(16)17)18-8-4-2-5-9-18/h2-14H,15H2,1H3/q+1