2-(5-chloranyl-2-oxidanyl-phenyl)-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one

Systemtic Name: 2-(5-chloranyl-2-oxidanyl-phenyl)-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one Openeye Name: 2-(5-chloro-2-hydroxy-phenyl)-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one CAS Name: 2-(5-chloro-2-hydroxyphenyl)-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one IUPAC Name: 2-(5-chloro-2-hydroxyphenyl)-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one Traditional Name: 2-(5-chloro-2-hydroxy-phenyl)-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one Formula: C16H15ClNO2S+ MolecularWeight: 320.8138

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2S[N+](C1=O)(C)C3=C(C=CC(=C3)Cl)O

Isomeric SMILES

CC1C2=CC=CC=C2S[N+](C1=O)(C)C3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C16H14ClNO2S/c1-10-12-5-3-4-6-15(12)21-18(2,16(10)20)13-9-11(17)7-8-14(13)19/h3-10H,1-2H3/p+1