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

Systemtic Name: disodium [2-(octanoylamino)-2-(3-propan-2-ylsulfanylphenyl)ethyl] phosphate Openeye Name: disodium [2-(3-isopropylsulfanylphenyl)-2-(octanoylamino)ethyl] phosphate CAS Name: disodium [2-(1-oxooctylamino)-2-[3-(propan-2-ylthio)phenyl]ethyl] phosphate IUPAC Name: disodium [2-(octanoylamino)-2-(3-propan-2-ylsulfanylphenyl)ethyl] phosphate Traditional Name: disodium [2-(caprylylamino)-2-[3-(isopropylthio)phenyl]ethyl] phosphate Formula: C19H30NNa2O5PS MolecularWeight: 461.463501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC(=CC=C1)SC(C)C.[Na+].[Na+]

Isomeric SMILES

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC(=CC=C1)SC(C)C.[Na+].[Na+]

InChI

InChI=1S/C19H32NO5PS.2Na/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);;/q;2*+1/p-2