disodium [2-(hexanoylamino)-2-(3-methoxyphenyl)ethyl] phosphate

Systemtic Name: disodium [2-(hexanoylamino)-2-(3-methoxyphenyl)ethyl] phosphate Openeye Name: disodium [2-(hexanoylamino)-2-(3-methoxyphenyl)ethyl] phosphate CAS Name: disodium [2-(3-methoxyphenyl)-2-(1-oxohexylamino)ethyl] phosphate IUPAC Name: disodium [2-(hexanoylamino)-2-(3-methoxyphenyl)ethyl] phosphate Traditional Name: disodium [2-(caproylamino)-2-(3-methoxyphenyl)ethyl] phosphate Formula: C15H22NNa2O6P MolecularWeight: 389.291581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC(=CC=C1)OC.[Na+].[Na+]

Isomeric SMILES

CCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC(=CC=C1)OC.[Na+].[Na+]

InChI

InChI=1S/C15H24NO6P.2Na/c1-3-4-5-9-15(17)16-14(11-22-23(18,19)20)12-7-6-8-13(10-12)21-2;;/h6-8,10,14H,3-5,9,11H2,1-2H3,(H,16,17)(H2,18,19,20);;/q;2*+1/p-2