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

Systemtic Name: (2,6-dimethylphenyl) [4-[2-(4-methoxyphenyl)ethyl]-2-nitro-phenyl] hydrogen phosphate Openeye Name: (2,6-dimethylphenyl) [4-[2-(4-methoxyphenyl)ethyl]-2-nitro-phenyl] hydrogen phosphate CAS Name: (2,6-dimethylphenyl) [4-[2-(4-methoxyphenyl)ethyl]-2-nitrophenyl] hydrogen phosphate IUPAC Name: (2,6-dimethylphenyl) [4-[2-(4-methoxyphenyl)ethyl]-2-nitrophenyl] hydrogen phosphate Traditional Name: (2,6-dimethylphenyl) [4-[2-(4-methoxyphenyl)ethyl]-2-nitro-phenyl] hydrogen phosphate Formula: C23H24NO7P MolecularWeight: 457.412921

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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-]

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-]

InChI

InChI=1S/C23H24NO7P/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)