sodium (3,5-dimethylphenyl) [2-[(E)-3-phenylprop-2-enoyl]phenyl] phosphate

Systemtic Name: sodium (3,5-dimethylphenyl) [2-[(E)-3-phenylprop-2-enoyl]phenyl] phosphate Openeye Name: sodium (3,5-dimethylphenyl) [2-[(E)-3-phenylprop-2-enoyl]phenyl] phosphate CAS Name: sodium (3,5-dimethylphenyl) [2-[(E)-1-oxo-3-phenylprop-2-enyl]phenyl] phosphate IUPAC Name: sodium (3,5-dimethylphenyl) [2-[(E)-3-phenylprop-2-enoyl]phenyl] phosphate Traditional Name: sodium (3,5-dimethylphenyl) [2-[(E)-3-phenylacryloyl]phenyl] phosphate Formula: C23H20NaO5P MolecularWeight: 430.365431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OP(=O)([O-])OC2=CC=CC=C2C(=O)C=CC3=CC=CC=C3)C.[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1)OP(=O)([O-])OC2=CC=CC=C2C(=O)/C=C/C3=CC=CC=C3)C.[Na+]

InChI

InChI=1S/C23H21O5P.Na/c1-17-14-18(2)16-20(15-17)27-29(25,26)28-23-11-7-6-10-21(23)22(24)13-12-19-8-4-3-5-9-19;/h3-16H,1-2H3,(H,25,26);/q;+1/p-1/b13-12+;