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

Systemtic Name: sodium [4-[2-(4-acetyloxy-3,5-dimethyl-phenyl)propan-2-yl]phenyl] (2,6-dimethylphenyl) phosphate Openeye Name: sodium [4-[1-(4-acetoxy-3,5-dimethyl-phenyl)-1-methyl-ethyl]phenyl] (2,6-dimethylphenyl) phosphate CAS Name: sodium [4-[2-(4-acetyloxy-3,5-dimethylphenyl)propan-2-yl]phenyl] (2,6-dimethylphenyl) phosphate IUPAC Name: sodium [4-[2-(4-acetyloxy-3,5-dimethylphenyl)propan-2-yl]phenyl] (2,6-dimethylphenyl) phosphate Traditional Name: sodium [4-[1-(4-acetoxy-3,5-dimethyl-phenyl)-1-methyl-ethyl]phenyl] (2,6-dimethylphenyl) phosphate Formula: C27H30NaO6P MolecularWeight: 504.487031

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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)OC(=O)C)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)OC(=O)C)C.[Na+]

InChI

InChI=1S/C27H31O6P.Na/c1-17-9-8-10-18(2)26(17)33-34(29,30)32-24-13-11-22(12-14-24)27(6,7)23-15-19(3)25(20(4)16-23)31-21(5)28;/h8-16H,1-7H3,(H,29,30);/q;+1/p-1