disodium [5-[2-adamantylidene(trideuteriomethoxy)methyl]-2-chloranyl-phenyl] phosphate

Systemtic Name: disodium [5-[2-adamantylidene(trideuteriomethoxy)methyl]-2-chloranyl-phenyl] phosphate Openeye Name: disodium [5-[2-adamantylidene(trideuteriomethoxy)methyl]-2-chloro-phenyl] phosphate CAS Name: disodium [5-[2-adamantylidene(trideuteriomethoxy)methyl]-2-chlorophenyl] phosphate IUPAC Name: disodium [5-[2-adamantylidene(trideuteriomethoxy)methyl]-2-chlorophenyl] phosphate Traditional Name: disodium [5-[2-adamantylidene(trideuteriomethoxy)methyl]-2-chloro-phenyl] phosphate Formula: C18H20ClNa2O5P MolecularWeight: 431.773186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C1C2CC3CC(C2)CC1C3)C4=CC(=C(C=C4)Cl)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

[2H]C([2H])([2H])OC(=C1C2CC3CC(C2)CC1C3)C4=CC(=C(C=C4)Cl)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C18H22ClO5P.2Na/c1-23-18(12-2-3-15(19)16(9-12)24-25(20,21)22)17-13-5-10-4-11(7-13)8-14(17)6-10;;/h2-3,9-11,13-14H,4-8H2,1H3,(H2,20,21,22);;/q;2*+1/p-2/i1D3;;