tetrasodium 2-[({5-[1-(3-{[bis(carboxylatomethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl}methyl)(carboxylatomethyl)amino]acetate

CAS: 2411-89-4

Formula: C32H28N2Na4O12

SMILES: [Na+].[Na+].[Na+].[Na+].CC1=CC(=CC(CN(CC([O-])=O)CC([O-])=O)=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC(C)=C(O)C(CN(CC([O-])=O)CC([O-])=O)=C1

IUPAC: tetrasodium 2-[({5-[1-(3-{[bis(carboxylatomethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl}methyl)(carboxylatomethyl)amino]acetate

InChI: InChI=1S/C32H32N2O12.4Na/c1-17-7-21(9-19(29(17)43)11-33(13-25(35)36)14-26(37)38)32(24-6-4-3-5-23(24)31(45)46-32)22-8-18(2)30(44)20(10-22)12-34(15-27(39)40)16-28(41)42;;;;/h3-10,43-44H,11-16H2,1-2H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42);;;;/q;4*+1/p-4

Composition: C (53.05%), H (3.90%), N (3.87%), Na (12.69%), O (26.50%)

Molar Mass: 724.537

Atom Count: 78

Heavy Atom Count: 50