3-(2,5,6-trimethyl-2H-1,3-benzothiazol-3-yl)propyl hydrogen sulfate

Systemtic Name: 3-(2,5,6-trimethyl-2H-1,3-benzothiazol-3-yl)propyl hydrogen sulfate Openeye Name: 3-(2,5,6-trimethyl-2H-1,3-benzothiazol-3-yl)propyl hydrogen sulfate CAS Name: sulfuric acid 3-(2,5,6-trimethyl-2H-1,3-benzothiazol-3-yl)propyl ester IUPAC Name: 3-(2,5,6-trimethyl-2H-1,3-benzothiazol-3-yl)propyl hydrogen sulfate Traditional Name: sulfuric acid 3-(2,5,6-trimethyl-2H-1,3-benzothiazol-3-yl)propyl ester Formula: C13H19NO4S2 MolecularWeight: 317.42426

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(S1)C=C(C(=C2)C)C)CCCOS(=O)(=O)O

Isomeric SMILES

CC1N(C2=C(S1)C=C(C(=C2)C)C)CCCOS(=O)(=O)O

InChI

InChI=1S/C13H19NO4S2/c1-9-7-12-13(8-10(9)2)19-11(3)14(12)5-4-6-18-20(15,16)17/h7-8,11H,4-6H2,1-3H3,(H,15,16,17)