sodium (3-bromophenyl) [3-(2,4,6-trimethylphenyl)carbonylphenyl] phosphate

Systemtic Name: sodium (3-bromophenyl) [3-(2,4,6-trimethylphenyl)carbonylphenyl] phosphate Openeye Name: sodium (3-bromophenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate CAS Name: sodium (3-bromophenyl) [3-[oxo-(2,4,6-trimethylphenyl)methyl]phenyl] phosphate IUPAC Name: sodium (3-bromophenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate Traditional Name: sodium (3-bromophenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate Formula: C22H19BrNaO5P MolecularWeight: 497.250791

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)C2=CC(=CC=C2)OP(=O)([O-])OC3=CC(=CC=C3)Br)C.[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)C2=CC(=CC=C2)OP(=O)([O-])OC3=CC(=CC=C3)Br)C.[Na+]

InChI

InChI=1S/C22H20BrO5P.Na/c1-14-10-15(2)21(16(3)11-14)22(24)17-6-4-8-19(12-17)27-29(25,26)28-20-9-5-7-18(23)13-20;/h4-13H,1-3H3,(H,25,26);/q;+1/p-1