sodium 4-(penta-1,3-diynoxyamino)benzenesulfonate

Systemtic Name: sodium 4-(penta-1,3-diynoxyamino)benzenesulfonate Openeye Name: sodium 4-(penta-1,3-diynoxyamino)benzenesulfonate CAS Name: sodium 4-(penta-1,3-diynoxyamino)benzenesulfonate IUPAC Name: sodium 4-(penta-1,3-diynoxyamino)benzenesulfonate Traditional Name: sodium 4-(penta-1,3-diynoxyamino)besylate Formula: C11H7NNaO4S- MolecularWeight: 272.23235

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C#CC#CONC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

[CH2-]C#CC#CONC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H8NO4S.Na/c1-2-3-4-9-16-12-10-5-7-11(8-6-10)17(13,14)15;/h5-8,12H,1H2,(H,13,14,15);/q-1;+1/p-1