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

Systemtic Name: 5-[4-(4-methylphenyl)phenyl]-4-oxidanyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-one Openeye Name: 4-hydroxy-1,1-dioxo-5-[4-(p-tolyl)phenyl]isothiazol-3-one CAS Name: 4-hydroxy-5-[4-(4-methylphenyl)phenyl]-1,1-dioxo-3-isothiazolone IUPAC Name: 4-hydroxy-5-[4-(4-methylphenyl)phenyl]-1,1-dioxo-1,2-thiazol-3-one Traditional Name: 4-hydroxy-1,1-diketo-5-[4-(p-tolyl)phenyl]isothiazol-3-one Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=O)NS3(=O)=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=O)NS3(=O)=O)O

InChI

InChI=1S/C16H13NO4S/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)15-14(18)16(19)17-22(15,20)21/h2-9,18H,1H3,(H,17,19)