6-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1,1-bis(diethoxyphosphoryl)hexan-1-ol

Systemtic Name: 6-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1,1-bis(diethoxyphosphoryl)hexan-1-ol Openeye Name: 6-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1,1-bis(diethoxyphosphoryl)hexan-1-ol CAS Name: 6-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1,1-bis(diethoxyphosphoryl)-1-hexanol IUPAC Name: 6-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1,1-bis(diethoxyphosphoryl)hexan-1-ol Traditional Name: 6-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1,1-bis(diethoxyphosphoryl)hexan-1-ol Formula: C21H34ClNO7P2S2 MolecularWeight: 574.027682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCCCSC1=NC2=C(S1)C=CC(=C2)Cl)(O)P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(C(CCCCCSC1=NC2=C(S1)C=CC(=C2)Cl)(O)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C21H34ClNO7P2S2/c1-5-27-31(25,28-6-2)21(24,32(26,29-7-3)30-8-4)14-10-9-11-15-33-20-23-18-16-17(22)12-13-19(18)34-20/h12-13,16,24H,5-11,14-15H2,1-4H3