[2-(octanethioylamino)-2-phenyl-ethyl] dihydrogen phosphate

Systemtic Name: [2-(octanethioylamino)-2-phenyl-ethyl] dihydrogen phosphate Openeye Name: [2-(octanethioylamino)-2-phenyl-ethyl] dihydrogen phosphate CAS Name: [2-phenyl-2-(1-sulfanylideneoctylamino)ethyl] dihydrogen phosphate IUPAC Name: [2-(octanethioylamino)-2-phenylethyl] dihydrogen phosphate Traditional Name: [2-(octanethioylamino)-2-phenyl-ethyl] dihydrogen phosphate Formula: C16H26NO4PS MolecularWeight: 359.420701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=S)NC(COP(=O)(O)O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(=S)NC(COP(=O)(O)O)C1=CC=CC=C1

InChI

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