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

Systemtic Name: 5-but-3-ynylsulfonyl-2,3-dimethoxy-benzoic acid Openeye Name: 5-but-3-ynylsulfonyl-2,3-dimethoxy-benzoic acid CAS Name: 5-but-3-ynylsulfonyl-2,3-dimethoxybenzoic acid IUPAC Name: 5-but-3-ynylsulfonyl-2,3-dimethoxybenzoic acid Traditional Name: 5-but-3-ynylsulfonyl-2,3-dimethoxy-benzoic acid Formula: C13H14O6S MolecularWeight: 298.31166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O6S/c1-4-5-6-20(16,17)9-7-10(13(14)15)12(19-3)11(8-9)18-2/h1,7-8H,5-6H2,2-3H3,(H,14,15)