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sodium 2-[3,5-bis(oxidanyl)-4-(3-phenylpropanoyl)phenoxy]ethanoate

sodium 2-[3,5-bis(oxidanyl)-4-(3-phenylpropanoyl)phenoxy]ethanoate

Systemtic Name:sodium 2-[3,5-bis(oxidanyl)-4-(3-phenylpropanoyl)phenoxy]ethanoate
Openeye Name:sodium 2-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]acetate
CAS Name:sodium 2-[3,5-dihydroxy-4-(1-oxo-3-phenylpropyl)phenoxy]acetate
IUPAC Name:sodium 2-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]acetate
Traditional Name:sodium 2-(4-hydrocinnamoyl-3,5-dihydroxy-phenoxy)acetate
Formula: C17H15NaO6
MolecularWeight: 338.28717
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)OCC(=O)[O-])O.[Na+]


Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)OCC(=O)[O-])O.[Na+]


InChI

InChI=1S/C17H16O6.Na/c18-13(7-6-11-4-2-1-3-5-11)17-14(19)8-12(9-15(17)20)23-10-16(21)22;/h1-5,8-9,19-20H,6-7,10H2,(H,21,22);/q;+1/p-1


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