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

Systemtic Name: 5-(3,5-diethylphenyl)-4-oxidanyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-one Openeye Name: 5-(3,5-diethylphenyl)-4-hydroxy-1,1-dioxo-isothiazol-3-one CAS Name: 5-(3,5-diethylphenyl)-4-hydroxy-1,1-dioxo-3-isothiazolone IUPAC Name: 5-(3,5-diethylphenyl)-4-hydroxy-1,1-dioxo-1,2-thiazol-3-one Traditional Name: 5-(3,5-diethylphenyl)-4-hydroxy-1,1-diketo-isothiazol-3-one Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)C2=C(C(=O)NS2(=O)=O)O)CC

Isomeric SMILES

CCC1=CC(=CC(=C1)C2=C(C(=O)NS2(=O)=O)O)CC

InChI

InChI=1S/C13H15NO4S/c1-3-8-5-9(4-2)7-10(6-8)12-11(15)13(16)14-19(12,17)18/h5-7,15H,3-4H2,1-2H3,(H,14,16)