BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

Sulfanilic Acid

Sulfanilic Acid bmse000726 - Data

Sulfanilic_acid synonyms

Sulfanilic acid; sulphanilic acid; 4-aminobenzenesulfonic acid; 4-Aminobenzenesulfonic acid; Benzenesulfonic acid, 4-amino-; Aniline-4-sulfonic acid; aniline-p-sulfonic acid; aniline-p-sulphonic acid; p-aminophenylsulfonic acid; 4-Aminobenzenesulfonate; p-Aminobenzenesulfonic acid

Wikipedia:

Graphical representations:

sulfanilic_acid

View large 3D structure

Molecular Formula: C6H7NO3S

Natural Isotopic Abundance Mass: 173.18968

Mono-Isotopic Molecular Masses:

  • C12N14: 173.0146637862
  • C13N14: 179.034792813
  • C12N15: 174.0116986794
  • C13N15: 180.0318277062

InChI string: InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)

PubChem Compound (CID): 8479
CAS Registry number: 121-57-3
Sigma-Aldrich: S5263_SIGMA
ChEBI: CHEBI:27500
EPA DSSTox: 33845
KEGG Compound ID: C06335
NIST Chemistry WebBook: 68279583
MMCD: cq_03559
MDL: MFCD00007886

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)