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

Systemtic Name: sodium (2,6-dimethylphenyl) [4-[2-(3,5-dimethyl-4-propanoyloxy-phenyl)propan-2-yl]phenyl] phosphate Openeye Name: sodium (2,6-dimethylphenyl) [4-[1-(3,5-dimethyl-4-propanoyloxy-phenyl)-1-methyl-ethyl]phenyl] phosphate CAS Name: sodium [4-[2-[3,5-dimethyl-4-(1-oxopropoxy)phenyl]propan-2-yl]phenyl] (2,6-dimethylphenyl) phosphate IUPAC Name: sodium (2,6-dimethylphenyl) [4-[2-(3,5-dimethyl-4-propanoyloxyphenyl)propan-2-yl]phenyl] phosphate Traditional Name: sodium (2,6-dimethylphenyl) [4-[1-(3,5-dimethyl-4-propionyloxy-phenyl)-1-methyl-ethyl]phenyl] phosphate Formula: C28H32NaO6P MolecularWeight: 518.513611

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1C)C(C)(C)C2=CC=C(C=C2)OP(=O)([O-])OC3=C(C=CC=C3C)C)C.[Na+]

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1C)C(C)(C)C2=CC=C(C=C2)OP(=O)([O-])OC3=C(C=CC=C3C)C)C.[Na+]

InChI

InChI=1S/C28H33O6P.Na/c1-8-25(29)32-26-20(4)16-23(17-21(26)5)28(6,7)22-12-14-24(15-13-22)33-35(30,31)34-27-18(2)10-9-11-19(27)3;/h9-17H,8H2,1-7H3,(H,30,31);/q;+1/p-1