[2-(octanoylamino)-2-(3-propan-2-ylsulfanylphenyl)ethyl] dihydrogen phosphate

Systemtic Name: [2-(octanoylamino)-2-(3-propan-2-ylsulfanylphenyl)ethyl] dihydrogen phosphate Openeye Name: [2-(3-isopropylsulfanylphenyl)-2-(octanoylamino)ethyl] dihydrogen phosphate CAS Name: [2-(1-oxooctylamino)-2-[3-(propan-2-ylthio)phenyl]ethyl] dihydrogen phosphate IUPAC Name: [2-(octanoylamino)-2-(3-propan-2-ylsulfanylphenyl)ethyl] dihydrogen phosphate Traditional Name: [2-(caprylylamino)-2-[3-(isopropylthio)phenyl]ethyl] dihydrogen phosphate Formula: C19H32NO5PS MolecularWeight: 417.499841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32NO5PS/c1-4-5-6-7-8-12-19(21)20-18(14-25-26(22,23)24)16-10-9-11-17(13-16)27-15(2)3/h9-11,13,15,18H,4-8,12,14H2,1-3H3,(H,20,21)(H2,22,23,24)