sodium [4-[acetyloxy(phenyl)methyl]phenyl] (3,5-dimethylphenyl) phosphate

Systemtic Name: sodium [4-[acetyloxy(phenyl)methyl]phenyl] (3,5-dimethylphenyl) phosphate Openeye Name: sodium [4-[acetoxy(phenyl)methyl]phenyl] (3,5-dimethylphenyl) phosphate CAS Name: sodium [4-[acetyloxy(phenyl)methyl]phenyl] (3,5-dimethylphenyl) phosphate IUPAC Name: sodium [4-[acetyloxy(phenyl)methyl]phenyl] (3,5-dimethylphenyl) phosphate Traditional Name: sodium [4-[acetoxy(phenyl)methyl]phenyl] (3,5-dimethylphenyl) phosphate Formula: C23H22NaO6P MolecularWeight: 448.380711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23O6P.Na/c1-16-13-17(2)15-22(14-16)29-30(25,26)28-21-11-9-20(10-12-21)23(27-18(3)24)19-7-5-4-6-8-19;/h4-15,23H,1-3H3,(H,25,26);/q;+1/p-1