3-[(3,4-dichlorophenyl)methyl]-7-diethoxyphosphinothioyloxy-4-methyl-chromen-2-one

Systemtic Name: 3-[(3,4-dichlorophenyl)methyl]-7-diethoxyphosphinothioyloxy-4-methyl-chromen-2-one Openeye Name: 3-[(3,4-dichlorophenyl)methyl]-7-diethoxyphosphinothioyloxy-4-methyl-chromen-2-one CAS Name: 3-[(3,4-dichlorophenyl)methyl]-7-diethoxyphosphinothioyloxy-4-methyl-1-benzopyran-2-one IUPAC Name: 3-[(3,4-dichlorophenyl)methyl]-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one Traditional Name: 3-(3,4-dichlorobenzyl)-7-diethoxythiophosphoryloxy-4-methyl-coumarin Formula: C21H21Cl2O5PS MolecularWeight: 487.333201

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)CC3=CC(=C(C=C3)Cl)Cl)C

Isomeric SMILES

CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)CC3=CC(=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C21H21Cl2O5PS/c1-4-25-29(30,26-5-2)28-15-7-8-16-13(3)17(21(24)27-20(16)12-15)10-14-6-9-18(22)19(23)11-14/h6-9,11-12H,4-5,10H2,1-3H3