sodium [4-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]propyl]phenoxy]methyl-ethoxy-phosphinate

Systemtic Name: sodium [4-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]propyl]phenoxy]methyl-ethoxy-phosphinate Openeye Name: sodium [4-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]phenoxy]methyl-ethoxy-phosphinate CAS Name: sodium [4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]methyl-ethoxyphosphinate IUPAC Name: sodium [4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]methyl-ethoxyphosphinate Traditional Name: sodium [4-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]phenoxy]methyl-ethoxy-phosphinate Formula: C20H26ClNNaO5P MolecularWeight: 449.840671

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC1=CC=C(C=C1)CC(C)NCC(C2=CC(=CC=C2)Cl)O)[O-].[Na+]

Isomeric SMILES

CCOP(=O)(COC1=CC=C(C=C1)CC(C)NCC(C2=CC(=CC=C2)Cl)O)[O-].[Na+]

InChI

InChI=1S/C20H27ClNO5P.Na/c1-3-27-28(24,25)14-26-19-9-7-16(8-10-19)11-15(2)22-13-20(23)17-5-4-6-18(21)12-17;/h4-10,12,15,20,22-23H,3,11,13-14H2,1-2H3,(H,24,25);/q;+1/p-1