disodium 2-oxidanyl-3-[[[2-oxidanyl-3-[[(2-oxidanyl-3-sulfonato-phenyl)methylcarbamoylamino]methyl]phenyl]methylcarbamoylamino]methyl]benzenesulfonate

Systemtic Name: disodium 2-oxidanyl-3-[[[2-oxidanyl-3-[[(2-oxidanyl-3-sulfonato-phenyl)methylcarbamoylamino]methyl]phenyl]methylcarbamoylamino]methyl]benzenesulfonate Openeye Name: disodium 2-hydroxy-3-[[[2-hydroxy-3-[[(2-hydroxy-3-sulfonato-phenyl)methylcarbamoylamino]methyl]phenyl]methylcarbamoylamino]methyl]benzenesulfonate CAS Name: disodium 2-hydroxy-3-[[[[[2-hydroxy-3-[[[[(2-hydroxy-3-sulfonatophenyl)methylamino]-oxomethyl]amino]methyl]phenyl]methylamino]-oxomethyl]amino]methyl]benzenesulfonate IUPAC Name: disodium 2-hydroxy-3-[[[2-hydroxy-3-[[(2-hydroxy-3-sulfonatophenyl)methylcarbamoylamino]methyl]phenyl]methylcarbamoylamino]methyl]benzenesulfonate Traditional Name: disodium 2-hydroxy-3-[[[2-hydroxy-3-[[(2-hydroxy-3-sulfonato-benzyl)carbamoylamino]methyl]benzyl]carbamoylamino]methyl]besylate Formula: C24H24N4Na2O11S2 MolecularWeight: 654.5771

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CNC(=O)NCC2=C(C(=CC=C2)S(=O)(=O)[O-])O)O)CNC(=O)NCC3=C(C(=CC=C3)S(=O)(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C(=C1)CNC(=O)NCC2=C(C(=CC=C2)S(=O)(=O)[O-])O)O)CNC(=O)NCC3=C(C(=CC=C3)S(=O)(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C24H26N4O11S2.2Na/c29-20-14(10-25-23(32)27-12-16-6-2-8-18(21(16)30)40(34,35)36)4-1-5-15(20)11-26-24(33)28-13-17-7-3-9-19(22(17)31)41(37,38)39;;/h1-9,29-31H,10-13H2,(H2,25,27,32)(H2,26,28,33)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2