[2,3-dimethoxy-6-methyl-4-oxidanyl-5-(4-oxidanyl-4-oxidanylidene-butyl)phenyl] sulfate

Systemtic Name: [2,3-dimethoxy-6-methyl-4-oxidanyl-5-(4-oxidanyl-4-oxidanylidene-butyl)phenyl] sulfate Openeye Name: [4-hydroxy-5-(4-hydroxy-4-oxo-butyl)-2,3-dimethoxy-6-methyl-phenyl] sulfate CAS Name: [4-hydroxy-5-(4-hydroxy-4-oxobutyl)-2,3-dimethoxy-6-methylphenyl] sulfate IUPAC Name: [4-hydroxy-5-(4-hydroxy-4-oxobutyl)-2,3-dimethoxy-6-methylphenyl] sulfate Traditional Name: [4-hydroxy-5-(4-hydroxy-4-keto-butyl)-2,3-dimethoxy-6-methyl-phenyl] sulfate Formula: C13H17O9S- MolecularWeight: 349.33368

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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)/p-1