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

Systemtic Name: dibutyl [1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl phosphate Openeye Name: dibutyl (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl phosphate CAS Name: phosphoric acid dibutyl (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl ester IUPAC Name: dibutyl (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl phosphate Traditional Name: phosphoric acid dibutyl (1,1,3-triketo-1,2-benzothiazol-2-yl)methyl ester Formula: C16H24NO7PS MolecularWeight: 405.403021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(OCCCC)OCN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CCCCOP(=O)(OCCCC)OCN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C16H24NO7PS/c1-3-5-11-22-25(19,23-12-6-4-2)24-13-17-16(18)14-9-7-8-10-15(14)26(17,20)21/h7-10H,3-6,11-13H2,1-2H3