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3-(6-methoxy-2-methyl-5-sulfooxy-1-benzofuran-3-yl)propanoic acid

3-(6-methoxy-2-methyl-5-sulfooxy-1-benzofuran-3-yl)propanoic acid

Systemtic Name:3-(6-methoxy-2-methyl-5-sulfooxy-1-benzofuran-3-yl)propanoic acid
Openeye Name:3-(6-methoxy-2-methyl-5-sulfooxy-benzofuran-3-yl)propanoic acid
CAS Name:3-(6-methoxy-2-methyl-5-sulfooxy-3-benzofuranyl)propanoic acid
IUPAC Name:3-(6-methoxy-2-methyl-5-sulfooxy-1-benzofuran-3-yl)propanoic acid
Traditional Name:3-(6-methoxy-2-methyl-5-sulfoxy-benzofuran-3-yl)propionic acid
Formula: C13H14O8S
MolecularWeight: 330.31046
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H14O8S/c1-7-8(3-4-13(14)15)9-5-12(21-22(16,17)18)11(19-2)6-10(9)20-7/h5-6H,3-4H2,1-2H3,(H,14,15)(H,16,17,18)


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