3-chloranyl-7-diethoxyphosphinothioyloxy-4-methyl-chromen-2-one thiophosphate

Systemtic Name: 3-chloranyl-7-diethoxyphosphinothioyloxy-4-methyl-chromen-2-one thiophosphate Openeye Name: 3-chloro-7-diethoxyphosphinothioyloxy-4-methyl-chromen-2-one thiophosphate CAS Name: 3-chloro-7-diethoxyphosphinothioyloxy-4-methyl-1-benzopyran-2-one thiophosphate IUPAC Name: 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one thiophosphate Traditional Name: 3-chloro-7-diethoxythiophosphoryloxy-4-methyl-coumarin thiophosphate Formula: C14H16ClO8P2S2-3 MolecularWeight: 473.802562

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C.[O-]P(=S)([O-])[O-]

Isomeric SMILES

CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C.[O-]P(=S)([O-])[O-]

InChI

InChI=1S/C14H16ClO5PS.H3O3PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10;1-4(2,3)5/h6-8H,4-5H2,1-3H3;(H3,1,2,3,5)/p-3