disodium 4-oxidanyl-3-[[4-[(2-oxidanyl-5-sulfonato-phenyl)carbamoyl]phenyl]carbonylamino]benzenesulfonate

Systemtic Name: disodium 4-oxidanyl-3-[[4-[(2-oxidanyl-5-sulfonato-phenyl)carbamoyl]phenyl]carbonylamino]benzenesulfonate Openeye Name: disodium 4-hydroxy-3-[[4-[(2-hydroxy-5-sulfonato-phenyl)carbamoyl]benzoyl]amino]benzenesulfonate CAS Name: disodium 4-hydroxy-3-[[[4-[(2-hydroxy-5-sulfonatoanilino)-oxomethyl]phenyl]-oxomethyl]amino]benzenesulfonate IUPAC Name: disodium 4-hydroxy-3-[[4-[(2-hydroxy-5-sulfonatophenyl)carbamoyl]benzoyl]amino]benzenesulfonate Traditional Name: disodium 4-hydroxy-3-[[4-[(2-hydroxy-5-sulfonato-phenyl)carbamoyl]benzoyl]amino]besylate Formula: C20H14N2Na2O10S2 MolecularWeight: 552.4421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)[O-])O)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)[O-])O)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C20H16N2O10S2.2Na/c23-17-7-5-13(33(27,28)29)9-15(17)21-19(25)11-1-2-12(4-3-11)20(26)22-16-10-14(34(30,31)32)6-8-18(16)24;;/h1-10,23-24H,(H,21,25)(H,22,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2