ethyl 2-methyl-5,6-disulfooxy-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-5,6-disulfooxy-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-methyl-5,6-disulfooxy-benzofuran-3-carboxylate CAS Name: 2-methyl-5,6-disulfooxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5,6-disulfooxy-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5,6-disulfoxy-benzofuran-3-carboxylic acid ethyl ester Formula: C12H12O11S2 MolecularWeight: 396.34708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OS(=O)(=O)O)OS(=O)(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OS(=O)(=O)O)OS(=O)(=O)O)C

InChI

InChI=1S/C12H12O11S2/c1-3-20-12(13)11-6(2)21-8-5-10(23-25(17,18)19)9(4-7(8)11)22-24(14,15)16/h4-5H,3H2,1-2H3,(H,14,15,16)(H,17,18,19)