diethyl [1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl phosphate

Systemtic Name: diethyl [1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl phosphate Openeye Name: diethyl (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl phosphate CAS Name: phosphoric acid diethyl (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl ester IUPAC Name: diethyl (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl phosphate Traditional Name: phosphoric acid diethyl (1,1,3-triketo-1,2-benzothiazol-2-yl)methyl ester Formula: C12H16NO7PS MolecularWeight: 349.296701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OCN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CCOP(=O)(OCC)OCN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C12H16NO7PS/c1-3-18-21(15,19-4-2)20-9-13-12(14)10-7-5-6-8-11(10)22(13,16)17/h5-8H,3-4,9H2,1-2H3