3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-7-diethoxyphosphinothioyloxy-4-propyl-chromen-2-one

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-7-diethoxyphosphinothioyloxy-4-propyl-chromen-2-one Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methyl]-7-diethoxyphosphinothioyloxy-4-propyl-chromen-2-one CAS Name: 3-[(2-chloro-6-fluorophenyl)methyl]-7-diethoxyphosphinothioyloxy-4-propyl-1-benzopyran-2-one IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methyl]-7-diethoxyphosphinothioyloxy-4-propylchromen-2-one Traditional Name: 3-(2-chloro-6-fluoro-benzyl)-7-diethoxythiophosphoryloxy-4-propyl-coumarin Formula: C23H25ClFO5PS MolecularWeight: 498.931764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)OC2=C1C=CC(=C2)OP(=S)(OCC)OCC)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCC1=C(C(=O)OC2=C1C=CC(=C2)OP(=S)(OCC)OCC)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C23H25ClFO5PS/c1-4-8-16-17-12-11-15(30-31(32,27-5-2)28-6-3)13-22(17)29-23(26)18(16)14-19-20(24)9-7-10-21(19)25/h7,9-13H,4-6,8,14H2,1-3H3