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

Systemtic Name: methyl 4-(4,5-dimethoxy-2-methyl-6-oxidanyl-3-sulfooxy-phenyl)butanoate Openeye Name: methyl 4-(2-hydroxy-3,4-dimethoxy-6-methyl-5-sulfooxy-phenyl)butanoate CAS Name: 4-(2-hydroxy-3,4-dimethoxy-6-methyl-5-sulfooxyphenyl)butanoic acid methyl ester IUPAC Name: methyl 4-(2-hydroxy-3,4-dimethoxy-6-methyl-5-sulfooxyphenyl)butanoate Traditional Name: 4-(2-hydroxy-3,4-dimethoxy-6-methyl-5-sulfoxy-phenyl)butyric acid methyl ester Formula: C14H20O9S MolecularWeight: 364.3682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O9S/c1-8-9(6-5-7-10(15)20-2)11(16)13(21-3)14(22-4)12(8)23-24(17,18)19/h16H,5-7H2,1-4H3,(H,17,18,19)