4-(4,5-dimethoxy-2-methyl-6-oxidanyl-3-sulfooxy-phenyl)butanoic acid

Systemtic Name: 4-(4,5-dimethoxy-2-methyl-6-oxidanyl-3-sulfooxy-phenyl)butanoic acid Openeye Name: 4-(2-hydroxy-3,4-dimethoxy-6-methyl-5-sulfooxy-phenyl)butanoic acid CAS Name: 4-(2-hydroxy-3,4-dimethoxy-6-methyl-5-sulfooxyphenyl)butanoic acid IUPAC Name: 4-(2-hydroxy-3,4-dimethoxy-6-methyl-5-sulfooxyphenyl)butanoic acid Traditional Name: 4-(2-hydroxy-3,4-dimethoxy-6-methyl-5-sulfoxy-phenyl)butyric acid Formula: C13H18O9S MolecularWeight: 350.34162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1OS(=O)(=O)O)OC)OC)O)CCCC(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=C1OS(=O)(=O)O)OC)OC)O)CCCC(=O)O

InChI

InChI=1S/C13H18O9S/c1-7-8(5-4-6-9(14)15)10(16)12(20-2)13(21-3)11(7)22-23(17,18)19/h16H,4-6H2,1-3H3,(H,14,15)(H,17,18,19)