sodium (4-acetyloxyphenyl) [4-(2-phenylpropan-2-yl)phenyl] phosphate

Systemtic Name: sodium (4-acetyloxyphenyl) [4-(2-phenylpropan-2-yl)phenyl] phosphate Openeye Name: sodium (4-acetoxyphenyl) [4-(1-methyl-1-phenyl-ethyl)phenyl] phosphate CAS Name: sodium (4-acetyloxyphenyl) [4-(2-phenylpropan-2-yl)phenyl] phosphate IUPAC Name: sodium (4-acetyloxyphenyl) [4-(2-phenylpropan-2-yl)phenyl] phosphate Traditional Name: sodium (4-acetoxyphenyl) (4-cumylphenyl) phosphate Formula: C23H22NaO6P MolecularWeight: 448.380711

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)C(C)(C)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)C(C)(C)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C23H23O6P.Na/c1-17(24)27-20-13-15-22(16-14-20)29-30(25,26)28-21-11-9-19(10-12-21)23(2,3)18-7-5-4-6-8-18;/h4-16H,1-3H3,(H,25,26);/q;+1/p-1