disodium [2-(heptanethioylamino)-2-phenyl-ethyl] phosphate

Systemtic Name: disodium [2-(heptanethioylamino)-2-phenyl-ethyl] phosphate Openeye Name: disodium [2-(heptanethioylamino)-2-phenyl-ethyl] phosphate CAS Name: disodium [2-phenyl-2-(1-sulfanylideneheptylamino)ethyl] phosphate IUPAC Name: disodium [2-(heptanethioylamino)-2-phenylethyl] phosphate Traditional Name: disodium [2-(heptanethioylamino)-2-phenyl-ethyl] phosphate Formula: C15H22NNa2O4PS MolecularWeight: 389.357781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24NO4PS.2Na/c1-2-3-4-8-11-15(22)16-14(12-20-21(17,18)19)13-9-6-5-7-10-13;;/h5-7,9-10,14H,2-4,8,11-12H2,1H3,(H,16,22)(H2,17,18,19);;/q;2*+1/p-2