potassium 3-[3-methoxy-4-[3-(4-methoxy-3-oxidanyl-phenyl)propanoyl]-5-oxidanyl-phenoxy]propane-1-sulfonate

Systemtic Name: potassium 3-[3-methoxy-4-[3-(4-methoxy-3-oxidanyl-phenyl)propanoyl]-5-oxidanyl-phenoxy]propane-1-sulfonate Openeye Name: potassium 3-[3-hydroxy-4-[3-(3-hydroxy-4-methoxy-phenyl)propanoyl]-5-methoxy-phenoxy]propane-1-sulfonate CAS Name: potassium 3-[3-hydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl]-5-methoxyphenoxy]-1-propanesulfonate IUPAC Name: potassium 3-[3-hydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]-5-methoxyphenoxy]propane-1-sulfonate Traditional Name: potassium 3-[3-hydroxy-4-[3-(3-hydroxy-4-methoxy-phenyl)propanoyl]-5-methoxy-phenoxy]propane-1-sulfonate Formula: C20H23KO9S MolecularWeight: 478.55452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2OC)OCCCS(=O)(=O)[O-])O)O.[K+]

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2OC)OCCCS(=O)(=O)[O-])O)O.[K+]

InChI

InChI=1S/C20H24O9S.K/c1-27-18-7-5-13(10-16(18)22)4-6-15(21)20-17(23)11-14(12-19(20)28-2)29-8-3-9-30(24,25)26;/h5,7,10-12,22-23H,3-4,6,8-9H2,1-2H3,(H,24,25,26);/q;+1/p-1