2-[(3-dimethoxyphosphorylsulfanyl-4-methoxy-phenyl)methylsulfonyl]ethanoic acid

Systemtic Name: 2-[(3-dimethoxyphosphorylsulfanyl-4-methoxy-phenyl)methylsulfonyl]ethanoic acid Openeye Name: 2-[(3-dimethoxyphosphorylsulfanyl-4-methoxy-phenyl)methylsulfonyl]acetic acid CAS Name: 2-[[3-(dimethoxyphosphorylthio)-4-methoxyphenyl]methylsulfonyl]acetic acid IUPAC Name: 2-[(3-dimethoxyphosphorylsulfanyl-4-methoxyphenyl)methylsulfonyl]acetic acid Traditional Name: 2-[3-(dimethoxyphosphorylthio)-4-methoxy-benzyl]sulfonylacetic acid Formula: C12H17O8PS2 MolecularWeight: 384.362341

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CS(=O)(=O)CC(=O)O)SP(=O)(OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CS(=O)(=O)CC(=O)O)SP(=O)(OC)OC

InChI

InChI=1S/C12H17O8PS2/c1-18-10-5-4-9(7-23(16,17)8-12(13)14)6-11(10)22-21(15,19-2)20-3/h4-6H,7-8H2,1-3H3,(H,13,14)