disodium [1-(heptanethioylamino)-1-phenyl-propan-2-yl] phosphate

Systemtic Name: disodium [1-(heptanethioylamino)-1-phenyl-propan-2-yl] phosphate Openeye Name: disodium [2-(heptanethioylamino)-1-methyl-2-phenyl-ethyl] phosphate CAS Name: disodium [1-phenyl-1-(1-sulfanylideneheptylamino)propan-2-yl] phosphate IUPAC Name: disodium [1-(heptanethioylamino)-1-phenylpropan-2-yl] phosphate Traditional Name: disodium [2-(heptanethioylamino)-1-methyl-2-phenyl-ethyl] phosphate Formula: C16H24NNa2O4PS MolecularWeight: 403.384361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=S)NC(C1=CC=CC=C1)C(C)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCC(=S)NC(C1=CC=CC=C1)C(C)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C16H26NO4PS.2Na/c1-3-4-5-9-12-15(23)17-16(13(2)21-22(18,19)20)14-10-7-6-8-11-14;;/h6-8,10-11,13,16H,3-5,9,12H2,1-2H3,(H,17,23)(H2,18,19,20);;/q;2*+1/p-2