ethane; 5-fluoranyl-2,2-dimethyl-3H-1-benzofuran; propane; thiophosphate

Systemtic Name: ethane; 5-fluoranyl-2,2-dimethyl-3H-1-benzofuran; propane; thiophosphate Openeye Name: ethane; 5-fluoro-2,2-dimethyl-3H-benzofuran; propane; thiophosphate CAS Name: ethane; 5-fluoro-2,2-dimethyl-3H-benzofuran; propane; thiophosphate IUPAC Name: ethane; 5-fluoro-2,2-dimethyl-3H-1-benzofuran; propane; thiophosphate Traditional Name: ethane; 5-fluoro-2,2-dimethyl-coumaran; n-propane; thiophosphate Formula: C15H25FO4PS-3 MolecularWeight: 351.393764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC.CCC.CC1(CC2=C(O1)C=CC(=C2)F)C.[O-]P(=S)([O-])[O-]

Isomeric SMILES

CC.CCC.CC1(CC2=C(O1)C=CC(=C2)F)C.[O-]P(=S)([O-])[O-]

InChI

InChI=1S/C10H11FO.C3H8.C2H6.H3O3PS/c1-10(2)6-7-5-8(11)3-4-9(7)12-10;1-3-2;1-2;1-4(2,3)5/h3-5H,6H2,1-2H3;3H2,1-2H3;1-2H3;(H3,1,2,3,5)/p-3