2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methoxy]phenol; methyl sulfate

Systemtic Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methoxy]phenol; methyl sulfate Openeye Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methoxy]phenol; methyl sulfate CAS Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methoxy]phenol; methyl sulfate IUPAC Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methoxy]phenol; methyl sulfate Traditional Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methoxy]phenol; methyl sulfate Formula: C16H17NO6S2 MolecularWeight: 383.43928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)COC3=CC=CC=C3O.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)COC3=CC=CC=C3O.COS(=O)(=O)[O-]

InChI

InChI=1S/C15H13NO2S.CH4O4S/c1-16-11-6-2-5-9-14(11)19-15(16)10-18-13-8-4-3-7-12(13)17;1-5-6(2,3)4/h2-9H,10H2,1H3;1H3,(H,2,3,4)