2-[(4-methoxy-3-phosphonooxy-phenyl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(4-methoxy-3-phosphonooxy-phenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(4-methoxy-3-phosphonooxy-phenyl)methylsulfanyl]acetic acid CAS Name: 2-[(4-methoxy-3-phosphonooxyphenyl)methylthio]acetic acid IUPAC Name: 2-[(4-methoxy-3-phosphonooxyphenyl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-methoxy-3-phosphonooxy-benzyl)thio]acetic acid Formula: C10H13O7PS MolecularWeight: 308.244781

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)O)OP(=O)(O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)O)OP(=O)(O)O

InChI

InChI=1S/C10H13O7PS/c1-16-8-3-2-7(5-19-6-10(11)12)4-9(8)17-18(13,14)15/h2-4H,5-6H2,1H3,(H,11,12)(H2,13,14,15)