3-ethoxycarbonyl-2-methyl-5-oxidanyl-1-benzofuran-6-sulfonic acid

Systemtic Name: 3-ethoxycarbonyl-2-methyl-5-oxidanyl-1-benzofuran-6-sulfonic acid Openeye Name: 3-ethoxycarbonyl-5-hydroxy-2-methyl-benzofuran-6-sulfonic acid CAS Name: 3-ethoxycarbonyl-5-hydroxy-2-methyl-6-benzofuransulfonic acid IUPAC Name: 3-ethoxycarbonyl-5-hydroxy-2-methyl-1-benzofuran-6-sulfonic acid Traditional Name: 3-carbethoxy-5-hydroxy-2-methyl-benzofuran-6-sulfonic acid Formula: C12H12O7S MolecularWeight: 300.28448

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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)