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

Systemtic Name: sodium 3-[4-[3-(4-methoxy-3-oxidanyl-phenyl)propanoyl]-3-oxidanyl-phenoxy]propane-1-sulfonate Openeye Name: sodium 3-[3-hydroxy-4-[3-(3-hydroxy-4-methoxy-phenyl)propanoyl]phenoxy]propane-1-sulfonate CAS Name: sodium 3-[3-hydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl]phenoxy]-1-propanesulfonate IUPAC Name: sodium 3-[3-hydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]propane-1-sulfonate Traditional Name: sodium 3-[3-hydroxy-4-[3-(3-hydroxy-4-methoxy-phenyl)propanoyl]phenoxy]propane-1-sulfonate Formula: C19H21NaO8S MolecularWeight: 432.42001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22O8S.Na/c1-26-19-8-4-13(11-18(19)22)3-7-16(20)15-6-5-14(12-17(15)21)27-9-2-10-28(23,24)25;/h4-6,8,11-12,21-22H,2-3,7,9-10H2,1H3,(H,23,24,25);/q;+1/p-1