sodium (2,6-dimethylphenyl) [4-[2-(4-methoxyphenyl)ethyl]-2-nitro-phenyl] phosphate

Systemtic Name: sodium (2,6-dimethylphenyl) [4-[2-(4-methoxyphenyl)ethyl]-2-nitro-phenyl] phosphate Openeye Name: sodium (2,6-dimethylphenyl) [4-[2-(4-methoxyphenyl)ethyl]-2-nitro-phenyl] phosphate CAS Name: sodium (2,6-dimethylphenyl) [4-[2-(4-methoxyphenyl)ethyl]-2-nitrophenyl] phosphate IUPAC Name: sodium (2,6-dimethylphenyl) [4-[2-(4-methoxyphenyl)ethyl]-2-nitrophenyl] phosphate Traditional Name: sodium (2,6-dimethylphenyl) [4-[2-(4-methoxyphenyl)ethyl]-2-nitro-phenyl] phosphate Formula: C23H23NNaO7P MolecularWeight: 479.394751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OP(=O)([O-])OC2=C(C=C(C=C2)CCC3=CC=C(C=C3)OC)[N+](=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OP(=O)([O-])OC2=C(C=C(C=C2)CCC3=CC=C(C=C3)OC)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C23H24NO7P.Na/c1-16-5-4-6-17(2)23(16)31-32(27,28)30-22-14-11-19(15-21(22)24(25)26)8-7-18-9-12-20(29-3)13-10-18;/h4-6,9-15H,7-8H2,1-3H3,(H,27,28);/q;+1/p-1