[2-(3-methylsulfanylphenyl)-2-(octanoylamino)ethyl] dihydrogen phosphate

Systemtic Name: [2-(3-methylsulfanylphenyl)-2-(octanoylamino)ethyl] dihydrogen phosphate Openeye Name: [2-(3-methylsulfanylphenyl)-2-(octanoylamino)ethyl] dihydrogen phosphate CAS Name: [2-[3-(methylthio)phenyl]-2-(1-oxooctylamino)ethyl] dihydrogen phosphate IUPAC Name: [2-(3-methylsulfanylphenyl)-2-(octanoylamino)ethyl] dihydrogen phosphate Traditional Name: [2-(caprylylamino)-2-[3-(methylthio)phenyl]ethyl] dihydrogen phosphate Formula: C17H28NO5PS MolecularWeight: 389.446681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28NO5PS/c1-3-4-5-6-7-11-17(19)18-16(13-23-24(20,21)22)14-9-8-10-15(12-14)25-2/h8-10,12,16H,3-7,11,13H2,1-2H3,(H,18,19)(H2,20,21,22)