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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OP(=O)([O-])OC3=CC(=CC(=C3)C)C.[Na+]

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OP(=O)([O-])OC3=CC(=CC(=C3)C)C.[Na+]

InChI

InChI=1S/C27H31O6P.Na/c1-6-7-26(28)31-23-12-8-21(9-13-23)27(4,5)22-10-14-24(15-11-22)32-34(29,30)33-25-17-19(2)16-20(3)18-25;/h8-18H,6-7H2,1-5H3,(H,29,30);/q;+1/p-1