4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl dihydrogen phosphate

Systemtic Name: 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl dihydrogen phosphate Openeye Name: 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl dihydrogen phosphate CAS Name: 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl dihydrogen phosphate IUPAC Name: 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl dihydrogen phosphate Traditional Name: 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl dihydrogen phosphate Formula: C8H12NO4PS MolecularWeight: 249.223941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)COP(=O)(O)O

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)COP(=O)(O)O

InChI

InChI=1S/C8H12NO4PS/c10-14(11,12)13-5-8-9-6-3-1-2-4-7(6)15-8/h1-5H2,(H2,10,11,12)