2-[4-sulfooxy-3-(trideuteriomethoxy)phenyl]ethanoic acid

Systemtic Name: 2-[4-sulfooxy-3-(trideuteriomethoxy)phenyl]ethanoic acid Openeye Name: 2-[4-sulfooxy-3-(trideuteriomethoxy)phenyl]acetic acid CAS Name: 2-[4-sulfooxy-3-(trideuteriomethoxy)phenyl]acetic acid IUPAC Name: 2-[4-sulfooxy-3-(trideuteriomethoxy)phenyl]acetic acid Traditional Name: 2-[4-sulfoxy-3-(trideuteriomethoxy)phenyl]acetic acid Formula: C9H10O7S MolecularWeight: 265.254985

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(=O)O)OS(=O)(=O)O

Isomeric SMILES

[2H]C([2H])([2H])OC1=C(C=CC(=C1)CC(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14)/i1D3