tetrasodium 2-[[2-[2-[5-[1,3-benzodioxol-5-yl(oxidanyl)methyl]-2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]phenoxy]cyclopentyl]oxy-4-methyl-phenyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: tetrasodium 2-[[2-[2-[5-[1,3-benzodioxol-5-yl(oxidanyl)methyl]-2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]phenoxy]cyclopentyl]oxy-4-methyl-phenyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: tetrasodium 2-[2-[2-[5-[1,3-benzodioxol-5-yl(hydroxy)methyl]-2-[bis(2-oxido-2-oxo-ethyl)amino]phenoxy]cyclopentoxy]-4-methyl-N-(2-oxido-2-oxo-ethyl)anilino]acetate CAS Name: tetrasodium 2-[2-[2-[5-[1,3-benzodioxol-5-yl(hydroxy)methyl]-2-[bis(2-oxido-2-oxoethyl)amino]phenoxy]cyclopentyl]oxy-4-methyl-N-(2-oxido-2-oxoethyl)anilino]acetate IUPAC Name: tetrasodium 2-[2-[2-[5-[1,3-benzodioxol-5-yl(hydroxy)methyl]-2-[bis(2-oxido-2-oxoethyl)amino]phenoxy]cyclopentyl]oxy-4-methyl-N-(2-oxido-2-oxoethyl)anilino]acetate Traditional Name: tetrasodium 2-[2-[2-[5-[1,3-benzodioxol-5-yl(hydroxy)methyl]-2-[bis(2-keto-2-oxido-ethyl)amino]phenoxy]cyclopentoxy]-N-(2-keto-2-oxido-ethyl)-4-methyl-anilino]acetate Formula: C34H32N2Na4O13 MolecularWeight: 768.58256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC(=O)[O-])CC(=O)[O-])OC2CCCC2OC3=C(C=CC(=C3)C(C4=CC5=C(C=C4)OCO5)O)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC(=O)[O-])CC(=O)[O-])OC2CCCC2OC3=C(C=CC(=C3)C(C4=CC5=C(C=C4)OCO5)O)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C34H36N2O13.4Na/c1-19-5-8-22(35(14-30(37)38)15-31(39)40)27(11-19)48-25-3-2-4-26(25)49-28-12-20(6-9-23(28)36(16-32(41)42)17-33(43)44)34(45)21-7-10-24-29(13-21)47-18-46-24;;;;/h5-13,25-26,34,45H,2-4,14-18H2,1H3,(H,37,38)(H,39,40)(H,41,42)(H,43,44);;;;/q;4*+1/p-4