sodium phenyl [4-(3-phenylpropanoyl)phenyl] phosphate

Systemtic Name: sodium phenyl [4-(3-phenylpropanoyl)phenyl] phosphate Openeye Name: sodium phenyl [4-(3-phenylpropanoyl)phenyl] phosphate CAS Name: sodium [4-(1-oxo-3-phenylpropyl)phenyl] phenyl phosphate IUPAC Name: sodium phenyl [4-(3-phenylpropanoyl)phenyl] phosphate Traditional Name: sodium (4-hydrocinnamoylphenyl) phenyl phosphate Formula: C21H18NaO5P MolecularWeight: 404.328151

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)C2=CC=C(C=C2)OP(=O)([O-])OC3=CC=CC=C3.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)C2=CC=C(C=C2)OP(=O)([O-])OC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C21H19O5P.Na/c22-21(16-11-17-7-3-1-4-8-17)18-12-14-20(15-13-18)26-27(23,24)25-19-9-5-2-6-10-19;/h1-10,12-15H,11,16H2,(H,23,24);/q;+1/p-1