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

Systemtic Name: 3-azanyl-4-[(4-oxidanyl-4-oxidanylidene-butyl)amino]benzenesulfonate Openeye Name: 3-amino-4-[(4-hydroxy-4-oxo-butyl)amino]benzenesulfonate CAS Name: 3-amino-4-[(4-hydroxy-4-oxobutyl)amino]benzenesulfonate IUPAC Name: 3-amino-4-[(4-hydroxy-4-oxobutyl)amino]benzenesulfonate Traditional Name: 3-amino-4-[(4-hydroxy-4-keto-butyl)amino]besylate Formula: C10H13N2O5S- MolecularWeight: 273.28562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N2O5S/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)/p-1