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

Systemtic Name: potassium 3-[4-[3-(4-methoxy-3-oxidanyl-phenyl)propanoyl]-3-oxidanyl-5-phenylmethoxy-phenoxy]propane-1-sulfonate Openeye Name: potassium 3-[3-benzyloxy-5-hydroxy-4-[3-(3-hydroxy-4-methoxy-phenyl)propanoyl]phenoxy]propane-1-sulfonate CAS Name: potassium 3-[3-hydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl]-5-phenylmethoxyphenoxy]-1-propanesulfonate IUPAC Name: potassium 3-[3-hydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]-5-phenylmethoxyphenoxy]propane-1-sulfonate Traditional Name: potassium 3-[3-benzoxy-5-hydroxy-4-[3-(3-hydroxy-4-methoxy-phenyl)propanoyl]phenoxy]propane-1-sulfonate Formula: C26H27KO9S MolecularWeight: 554.65048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2OCC3=CC=CC=C3)OCCCS(=O)(=O)[O-])O)O.[K+]

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2OCC3=CC=CC=C3)OCCCS(=O)(=O)[O-])O)O.[K+]

InChI

InChI=1S/C26H28O9S.K/c1-33-24-11-9-18(14-22(24)28)8-10-21(27)26-23(29)15-20(34-12-5-13-36(30,31)32)16-25(26)35-17-19-6-3-2-4-7-19;/h2-4,6-7,9,11,14-16,28-29H,5,8,10,12-13,17H2,1H3,(H,30,31,32);/q;+1/p-1