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

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-7-dimethoxyphosphinothioyloxy-4-propyl-chromen-2-one Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methyl]-7-dimethoxyphosphinothioyloxy-4-propyl-chromen-2-one CAS Name: 3-[(2-chloro-6-fluorophenyl)methyl]-7-dimethoxyphosphinothioyloxy-4-propyl-1-benzopyran-2-one IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methyl]-7-dimethoxyphosphinothioyloxy-4-propylchromen-2-one Traditional Name: 3-(2-chloro-6-fluoro-benzyl)-7-dimethoxythiophosphoryloxy-4-propyl-coumarin Formula: C21H21ClFO5PS MolecularWeight: 470.878604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClFO5PS/c1-4-6-14-15-10-9-13(28-29(30,25-2)26-3)11-20(15)27-21(24)16(14)12-17-18(22)7-5-8-19(17)23/h5,7-11H,4,6,12H2,1-3H3