potassium [4-[3-(4-methoxy-3-oxidanyl-phenyl)propanoyl]-3,5-bis(oxidanyl)phenoxy]methanesulfonate

Systemtic Name: potassium [4-[3-(4-methoxy-3-oxidanyl-phenyl)propanoyl]-3,5-bis(oxidanyl)phenoxy]methanesulfonate Openeye Name: potassium [3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxy-phenyl)propanoyl]phenoxy]methanesulfonate CAS Name: potassium [3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl]phenoxy]methanesulfonate IUPAC Name: potassium [3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]methanesulfonate Traditional Name: potassium [3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxy-phenyl)propanoyl]phenoxy]methanesulfonate Formula: C17H17KO9S MolecularWeight: 436.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)OCS(=O)(=O)[O-])O)O.[K+]

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)OCS(=O)(=O)[O-])O)O.[K+]

InChI

InChI=1S/C17H18O9S.K/c1-25-16-5-3-10(6-13(16)19)2-4-12(18)17-14(20)7-11(8-15(17)21)26-9-27(22,23)24;/h3,5-8,19-21H,2,4,9H2,1H3,(H,22,23,24);/q;+1/p-1