disodium 4-[2-azanyl-3-oxidanylidene-3-[[1-oxidanyl-1-oxidanylidene-3-(4-sulfonatophenyl)propan-2-yl]amino]propyl]benzenesulfonate

Systemtic Name: disodium 4-[2-azanyl-3-oxidanylidene-3-[[1-oxidanyl-1-oxidanylidene-3-(4-sulfonatophenyl)propan-2-yl]amino]propyl]benzenesulfonate Openeye Name: disodium 4-[2-amino-3-[[2-hydroxy-2-oxo-1-[(4-sulfonatophenyl)methyl]ethyl]amino]-3-oxo-propyl]benzenesulfonate CAS Name: disodium 4-[2-amino-3-[[1-hydroxy-1-oxo-3-(4-sulfonatophenyl)propan-2-yl]amino]-3-oxopropyl]benzenesulfonate IUPAC Name: disodium 4-[2-amino-3-[[1-hydroxy-1-oxo-3-(4-sulfonatophenyl)propan-2-yl]amino]-3-oxopropyl]benzenesulfonate Traditional Name: disodium 4-[2-amino-3-[[2-hydroxy-2-keto-1-(4-sulfonatobenzyl)ethyl]amino]-3-keto-propyl]besylate Formula: C18H18N2Na2O9S2 MolecularWeight: 516.45306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CC2=CC=C(C=C2)S(=O)(=O)[O-])C(=O)O)N)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC(CC2=CC=C(C=C2)S(=O)(=O)[O-])C(=O)O)N)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H20N2O9S2.2Na/c19-15(9-11-1-5-13(6-2-11)30(24,25)26)17(21)20-16(18(22)23)10-12-3-7-14(8-4-12)31(27,28)29;;/h1-8,15-16H,9-10,19H2,(H,20,21)(H,22,23)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2