(6-methoxy-2-methyl-5-sulfooxy-1-benzofuran-3-yl)methyl hydrogen sulfate

Systemtic Name: (6-methoxy-2-methyl-5-sulfooxy-1-benzofuran-3-yl)methyl hydrogen sulfate Openeye Name: (6-methoxy-2-methyl-5-sulfooxy-benzofuran-3-yl)methyl hydrogen sulfate CAS Name: sulfuric acid (6-methoxy-2-methyl-5-sulfooxy-3-benzofuranyl)methyl ester IUPAC Name: (6-methoxy-2-methyl-5-sulfooxy-1-benzofuran-3-yl)methyl hydrogen sulfate Traditional Name: sulfuric acid (6-methoxy-2-methyl-5-sulfoxy-benzofuran-3-yl)methyl ester Formula: C11H12O10S2 MolecularWeight: 368.33698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2O1)OC)OS(=O)(=O)O)COS(=O)(=O)O

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2O1)OC)OS(=O)(=O)O)COS(=O)(=O)O

InChI

InChI=1S/C11H12O10S2/c1-6-8(5-19-22(12,13)14)7-3-11(21-23(15,16)17)10(18-2)4-9(7)20-6/h3-4H,5H2,1-2H3,(H,12,13,14)(H,15,16,17)