sodium [4-[2-(3,5-dimethyl-4-oxidanyl-phenyl)propan-2-yl]phenyl] (2,6-dimethylphenyl) phosphate

Systemtic Name: sodium [4-[2-(3,5-dimethyl-4-oxidanyl-phenyl)propan-2-yl]phenyl] (2,6-dimethylphenyl) phosphate Openeye Name: sodium (2,6-dimethylphenyl) [4-[1-(4-hydroxy-3,5-dimethyl-phenyl)-1-methyl-ethyl]phenyl] phosphate CAS Name: sodium (2,6-dimethylphenyl) [4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]phenyl] phosphate IUPAC Name: sodium (2,6-dimethylphenyl) [4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]phenyl] phosphate Traditional Name: sodium (2,6-dimethylphenyl) [4-[1-(4-hydroxy-3,5-dimethyl-phenyl)-1-methyl-ethyl]phenyl] phosphate Formula: C25H28NaO5P MolecularWeight: 462.450351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OP(=O)([O-])OC2=CC=C(C=C2)C(C)(C)C3=CC(=C(C(=C3)C)O)C.[Na+]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OP(=O)([O-])OC2=CC=C(C=C2)C(C)(C)C3=CC(=C(C(=C3)C)O)C.[Na+]

InChI

InChI=1S/C25H29O5P.Na/c1-16-8-7-9-17(2)24(16)30-31(27,28)29-22-12-10-20(11-13-22)25(5,6)21-14-18(3)23(26)19(4)15-21;/h7-15,26H,1-6H3,(H,27,28);/q;+1/p-1