2-[bis[2-[carboxymethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-3-(4-ethoxyphenyl)propyl]amino]ethanoate; sodium; ytterbium(3+)

Systemtic Name: 2-[bis[2-[carboxymethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-3-(4-ethoxyphenyl)propyl]amino]ethanoate; sodium; ytterbium(3+) Openeye Name: 2-[bis[2-[carboxymethyl-(2-oxido-2-oxo-ethyl)amino]-3-(4-ethoxyphenyl)propyl]amino]acetate; sodium; ytterbium(3+) CAS Name: 2-[bis[2-[carboxymethyl-(2-oxido-2-oxoethyl)amino]-3-(4-ethoxyphenyl)propyl]amino]acetate; sodium; ytterbium(3+) IUPAC Name: 2-[bis[2-[carboxymethyl-(2-oxido-2-oxoethyl)amino]-3-(4-ethoxyphenyl)propyl]amino]acetate; sodium; ytterbium(3+) Traditional Name: 2-[bis[2-[carboxymethyl-(2-keto-2-oxido-ethyl)amino]-3-p-phenetyl-propyl]amino]acetate; sodium; ytterbium(3+) Formula: C32H40N3Na2O12Yb MolecularWeight: 877.69244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(CN(CC(CC2=CC=C(C=C2)OCC)N(CC(=O)O)CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Na].[Na].[Yb+3]

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(CN(CC(CC2=CC=C(C=C2)OCC)N(CC(=O)O)CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Na].[Na].[Yb+3]

InChI

InChI=1S/C32H43N3O12.2Na.Yb/c1-3-46-26-9-5-22(6-10-26)13-24(34(18-29(38)39)19-30(40)41)15-33(17-28(36)37)16-25(35(20-31(42)43)21-32(44)45)14-23-7-11-27(12-8-23)47-4-2;;;/h5-12,24-25H,3-4,13-21H2,1-2H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45);;;/q;;;+3/p-3