disodium [1-[3-(2-adamantylidenemethoxymethyl)phenyl]-2-cyano-ethyl] phosphate

Systemtic Name: disodium [1-[3-(2-adamantylidenemethoxymethyl)phenyl]-2-cyano-ethyl] phosphate Openeye Name: disodium [1-[3-(2-adamantylidenemethoxymethyl)phenyl]-2-cyano-ethyl] phosphate CAS Name: disodium [1-[3-(2-adamantylidenemethoxymethyl)phenyl]-2-cyanoethyl] phosphate IUPAC Name: disodium [1-[3-(2-adamantylidenemethoxymethyl)phenyl]-2-cyanoethyl] phosphate Traditional Name: disodium [1-[3-(2-adamantylidenemethoxymethyl)phenyl]-2-cyano-ethyl] phosphate Formula: C21H24NNa2O5P MolecularWeight: 447.372261

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3=COCC4=CC(=CC=C4)C(CC#N)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3=COCC4=CC(=CC=C4)C(CC#N)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C21H26NO5P.2Na/c22-5-4-21(27-28(23,24)25)17-3-1-2-14(7-17)12-26-13-20-18-8-15-6-16(10-18)11-19(20)9-15;;/h1-3,7,13,15-16,18-19,21H,4,6,8-12H2,(H2,23,24,25);;/q;2*+1/p-2