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

Systemtic Name: 2-[(4-methoxy-3-phosphonooxy-phenyl)methylsulfonyl]ethanoic acid Openeye Name: 2-[(4-methoxy-3-phosphonooxy-phenyl)methylsulfonyl]acetic acid CAS Name: 2-[(4-methoxy-3-phosphonooxyphenyl)methylsulfonyl]acetic acid IUPAC Name: 2-[(4-methoxy-3-phosphonooxyphenyl)methylsulfonyl]acetic acid Traditional Name: 2-(4-methoxy-3-phosphonooxy-benzyl)sulfonylacetic acid Formula: C10H13O9PS MolecularWeight: 340.243581

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CS(=O)(=O)CC(=O)O)OP(=O)(O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CS(=O)(=O)CC(=O)O)OP(=O)(O)O

InChI

InChI=1S/C10H13O9PS/c1-18-8-3-2-7(4-9(8)19-20(13,14)15)5-21(16,17)6-10(11)12/h2-4H,5-6H2,1H3,(H,11,12)(H2,13,14,15)