disodium [1-(hexoxycarbonylamino)-1-(3-methylsulfanylphenyl)propan-2-yl] phosphate

Systemtic Name: disodium [1-(hexoxycarbonylamino)-1-(3-methylsulfanylphenyl)propan-2-yl] phosphate Openeye Name: disodium [2-(hexoxycarbonylamino)-1-methyl-2-(3-methylsulfanylphenyl)ethyl] phosphate CAS Name: disodium [1-[[hexoxy(oxo)methyl]amino]-1-[3-(methylthio)phenyl]propan-2-yl] phosphate IUPAC Name: disodium [1-(hexoxycarbonylamino)-1-(3-methylsulfanylphenyl)propan-2-yl] phosphate Traditional Name: disodium [2-(hexoxycarbonylamino)-1-methyl-2-[3-(methylthio)phenyl]ethyl] phosphate Formula: C17H26NNa2O6PS MolecularWeight: 449.409741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)NC(C1=CC(=CC=C1)SC)C(C)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCOC(=O)NC(C1=CC(=CC=C1)SC)C(C)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C17H28NO6PS.2Na/c1-4-5-6-7-11-23-17(19)18-16(13(2)24-25(20,21)22)14-9-8-10-15(12-14)26-3;;/h8-10,12-13,16H,4-7,11H2,1-3H3,(H,18,19)(H2,20,21,22);;/q;2*+1/p-2