sodium 3-azanyl-4-[(4-oxidanyl-4-oxidanylidene-butyl)amino]benzenesulfonate

Systemtic Name: sodium 3-azanyl-4-[(4-oxidanyl-4-oxidanylidene-butyl)amino]benzenesulfonate Openeye Name: sodium 3-amino-4-[(4-hydroxy-4-oxo-butyl)amino]benzenesulfonate CAS Name: sodium 3-amino-4-[(4-hydroxy-4-oxobutyl)amino]benzenesulfonate IUPAC Name: sodium 3-amino-4-[(4-hydroxy-4-oxobutyl)amino]benzenesulfonate Traditional Name: sodium 3-amino-4-[(4-hydroxy-4-keto-butyl)amino]besylate Formula: C10H13N2NaO5S MolecularWeight: 296.27539

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])N)NCCCC(=O)O.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])N)NCCCC(=O)O.[Na+]

InChI

InChI=1S/C10H14N2O5S.Na/c11-8-6-7(18(15,16)17)3-4-9(8)12-5-1-2-10(13)14;/h3-4,6,12H,1-2,5,11H2,(H,13,14)(H,15,16,17);/q;+1/p-1