dipotassium 5-azanyl-2-[2-(4-azanyl-2-sulfonato-phenyl)-2-oxidanylidene-ethyl]benzenesulfonate

Systemtic Name: dipotassium 5-azanyl-2-[2-(4-azanyl-2-sulfonato-phenyl)-2-oxidanylidene-ethyl]benzenesulfonate Openeye Name: dipotassium 5-amino-2-[2-(4-amino-2-sulfonato-phenyl)-2-oxo-ethyl]benzenesulfonate CAS Name: dipotassium 5-amino-2-[2-(4-amino-2-sulfonatophenyl)-2-oxoethyl]benzenesulfonate IUPAC Name: dipotassium 5-amino-2-[2-(4-amino-2-sulfonatophenyl)-2-oxoethyl]benzenesulfonate Traditional Name: dipotassium 5-amino-2-[2-(4-amino-2-sulfonato-phenyl)-2-keto-ethyl]besylate Formula: C14H12K2N2O7S2 MolecularWeight: 462.58088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)[O-])CC(=O)C2=C(C=C(C=C2)N)S(=O)(=O)[O-].[K+].[K+]

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)[O-])CC(=O)C2=C(C=C(C=C2)N)S(=O)(=O)[O-].[K+].[K+]

InChI

InChI=1S/C14H14N2O7S2.2K/c15-9-2-1-8(13(6-9)24(18,19)20)5-12(17)11-4-3-10(16)7-14(11)25(21,22)23;;/h1-4,6-7H,5,15-16H2,(H,18,19,20)(H,21,22,23);;/q;2*+1/p-2