sodium 3-(4-hydroxyphenyl)-2-phenyl-propanoate trihydrate

Systemtic Name: sodium 3-(4-hydroxyphenyl)-2-phenyl-propanoate trihydrate Openeye Name: sodium 3-(4-hydroxyphenyl)-2-phenyl-propanoate trihydrate CAS Name: sodium 3-(4-hydroxyphenyl)-2-phenylpropanoate trihydrate IUPAC Name: sodium 3-(4-hydroxyphenyl)-2-phenylpropanoate trihydrate Traditional Name: sodium 3-(4-hydroxyphenyl)-2-phenyl-propionate trihydrate Formula: C15H19NaO6 MolecularWeight: 318.29753

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2=CC=C(C=C2)O)C(=O)[O-].O.O.O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(CC2=CC=C(C=C2)O)C(=O)[O-].O.O.O.[Na+]

InChI

InChI=1S/C15H14O3.Na.3H2O/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12;;;;/h1-9,14,16H,10H2,(H,17,18);;3*1H2/q;+1;;;/p-1