5-(4-methylphenyl)-4-oxidanyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-one

Systemtic Name: 5-(4-methylphenyl)-4-oxidanyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-one Openeye Name: 4-hydroxy-1,1-dioxo-5-(p-tolyl)isothiazol-3-one CAS Name: 4-hydroxy-5-(4-methylphenyl)-1,1-dioxo-3-isothiazolone IUPAC Name: 4-hydroxy-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-one Traditional Name: 4-hydroxy-1,1-diketo-5-(p-tolyl)isothiazol-3-one Formula: C10H9NO4S MolecularWeight: 239.24776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)NS2(=O)=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)NS2(=O)=O)O

InChI

InChI=1S/C10H9NO4S/c1-6-2-4-7(5-3-6)9-8(12)10(13)11-16(9,14)15/h2-5,12H,1H3,(H,11,13)