3-ethoxycarbonyl-2-methyl-5-oxidanyl-1-benzofuran-6-sulfonate

Systemtic Name: 3-ethoxycarbonyl-2-methyl-5-oxidanyl-1-benzofuran-6-sulfonate Openeye Name: 3-ethoxycarbonyl-5-hydroxy-2-methyl-benzofuran-6-sulfonate CAS Name: 3-ethoxycarbonyl-5-hydroxy-2-methyl-6-benzofuransulfonate IUPAC Name: 3-ethoxycarbonyl-5-hydroxy-2-methyl-1-benzofuran-6-sulfonate Traditional Name: 3-carbethoxy-5-hydroxy-2-methyl-benzofuran-6-sulfonate Formula: C12H11O7S- MolecularWeight: 299.27654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C=C21)O)S(=O)(=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C=C21)O)S(=O)(=O)[O-])C

InChI

InChI=1S/C12H12O7S/c1-3-18-12(14)11-6(2)19-9-5-10(20(15,16)17)8(13)4-7(9)11/h4-5,13H,3H2,1-2H3,(H,15,16,17)/p-1