disodium 3-[3-[3-(2-ethyl-5-oxidanidyl-phenoxy)propoxy]-2-propyl-phenyl]propanoate

Systemtic Name: disodium 3-[3-[3-(2-ethyl-5-oxidanidyl-phenoxy)propoxy]-2-propyl-phenyl]propanoate Openeye Name: disodium 3-[3-[3-(2-ethyl-5-oxido-phenoxy)propoxy]-2-propyl-phenyl]propanoate CAS Name: disodium 3-[3-[3-(2-ethyl-5-oxidophenoxy)propoxy]-2-propylphenyl]propanoate IUPAC Name: disodium 3-[3-[3-(2-ethyl-5-oxidophenoxy)propoxy]-2-propylphenyl]propanoate Traditional Name: disodium 3-[3-[3-(2-ethyl-5-oxido-phenoxy)propoxy]-2-propyl-phenyl]propionate Formula: C23H28Na2O5 MolecularWeight: 430.44496

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=C(C=CC(=C2)[O-])CC)CCC(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=C(C=CC(=C2)[O-])CC)CCC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C23H30O5.2Na/c1-3-7-20-18(11-13-23(25)26)8-5-9-21(20)27-14-6-15-28-22-16-19(24)12-10-17(22)4-2;;/h5,8-10,12,16,24H,3-4,6-7,11,13-15H2,1-2H3,(H,25,26);;/q;2*+1/p-2