tetrasodium 2-[[5-[3-[5-[[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]methyl]-2-methyl-4-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-4-methyl-2-oxidanyl-phenyl]methyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: tetrasodium 2-[[5-[3-[5-[[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]methyl]-2-methyl-4-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-4-methyl-2-oxidanyl-phenyl]methyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: tetrasodium 2-[[5-[3-[5-[[bis(2-oxido-2-oxo-ethyl)amino]methyl]-4-hydroxy-2-methyl-phenyl]-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-2-hydroxy-4-methyl-phenyl]methyl-(2-oxido-2-oxo-ethyl)amino]acetate CAS Name: tetrasodium 2-[[5-[3-[5-[[bis(2-oxido-2-oxoethyl)amino]methyl]-4-hydroxy-2-methylphenyl]-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-2-hydroxy-4-methylphenyl]methyl-(2-oxido-2-oxoethyl)amino]acetate IUPAC Name: tetrasodium 2-[[5-[3-[5-[[bis(2-oxido-2-oxoethyl)amino]methyl]-4-hydroxy-2-methylphenyl]-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-2-hydroxy-4-methylphenyl]methyl-(2-oxido-2-oxoethyl)amino]acetate Traditional Name: tetrasodium 2-[[5-[3-[5-[[bis(2-keto-2-oxido-ethyl)amino]methyl]-4-hydroxy-2-methyl-phenyl]-1,1-diketo-2,1$l^{6}-benzoxathiol-3-yl]-2-hydroxy-4-methyl-benzyl]-(2-keto-2-oxido-ethyl)amino]acetate Formula: C31H28N2Na4O13S MolecularWeight: 760.5837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C=C4C)O)CN(CC(=O)[O-])CC(=O)[O-])CN(CC(=O)[O-])CC(=O)[O-])O.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C=C4C)O)CN(CC(=O)[O-])CC(=O)[O-])CN(CC(=O)[O-])CC(=O)[O-])O.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C31H32N2O13S.4Na/c1-17-7-24(34)19(11-32(13-27(36)37)14-28(38)39)9-22(17)31(21-5-3-4-6-26(21)47(44,45)46-31)23-10-20(25(35)8-18(23)2)12-33(15-29(40)41)16-30(42)43;;;;/h3-10,34-35H,11-16H2,1-2H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43);;;;/q;4*+1/p-4