2,3-dimethoxy-5-prop-2-ynylsulfonyl-benzoic acid

Systemtic Name: 2,3-dimethoxy-5-prop-2-ynylsulfonyl-benzoic acid Openeye Name: 2,3-dimethoxy-5-prop-2-ynylsulfonyl-benzoic acid CAS Name: 2,3-dimethoxy-5-prop-2-ynylsulfonylbenzoic acid IUPAC Name: 2,3-dimethoxy-5-prop-2-ynylsulfonylbenzoic acid Traditional Name: 2,3-dimethoxy-5-propargylsulfonyl-benzoic acid Formula: C12H12O6S MolecularWeight: 284.28508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)S(=O)(=O)CC#C)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)S(=O)(=O)CC#C)C(=O)O)OC

InChI

InChI=1S/C12H12O6S/c1-4-5-19(15,16)8-6-9(12(13)14)11(18-3)10(7-8)17-2/h1,6-7H,5H2,2-3H3,(H,13,14)