2-butyl-5-methyl-1,1-bis(oxidanyl)-1,2-benzothiazol-3-one

Systemtic Name: 2-butyl-5-methyl-1,1-bis(oxidanyl)-1,2-benzothiazol-3-one Openeye Name: 2-butyl-1,1-dihydroxy-5-methyl-1,2-benzothiazol-3-one CAS Name: 2-butyl-1,1-dihydroxy-5-methyl-1,2-benzothiazol-3-one IUPAC Name: 2-butyl-1,1-dihydroxy-5-methyl-1,2-benzothiazol-3-one Traditional Name: 2-butyl-1,1-dihydroxy-5-methyl-1,2-benzothiazol-3-one Formula: C12H17NO3S MolecularWeight: 255.33328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(S1(O)O)C=CC(=C2)C

Isomeric SMILES

CCCCN1C(=O)C2=C(S1(O)O)C=CC(=C2)C

InChI

InChI=1S/C12H17NO3S/c1-3-4-7-13-12(14)10-8-9(2)5-6-11(10)17(13,15)16/h5-6,8,15-16H,3-4,7H2,1-2H3