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

Systemtic Name: sodium [4-(2,2-dimethylpropanoyloxy)phenyl] [4-(2-phenylpropan-2-yl)phenyl] phosphate Openeye Name: sodium [4-(2,2-dimethylpropanoyloxy)phenyl] [4-(1-methyl-1-phenyl-ethyl)phenyl] phosphate CAS Name: sodium [4-(2,2-dimethyl-1-oxopropoxy)phenyl] [4-(2-phenylpropan-2-yl)phenyl] phosphate IUPAC Name: sodium [4-(2,2-dimethylpropanoyloxy)phenyl] [4-(2-phenylpropan-2-yl)phenyl] phosphate Traditional Name: sodium (4-cumylphenyl) (4-pivaloyloxyphenyl) phosphate Formula: C26H28NaO6P MolecularWeight: 490.460451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=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(C)(C)C(=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/C26H29O6P.Na/c1-25(2,3)24(27)30-21-15-17-23(18-16-21)32-33(28,29)31-22-13-11-20(12-14-22)26(4,5)19-9-7-6-8-10-19;/h6-18H,1-5H3,(H,28,29);/q;+1/p-1