BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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8-anilino-1-naphthalenesulfonic Acid

Graphical representations:

8_anilino_1_naphthalenesulfonic_acid

View large 3D structure

Molecular Formula: C16H13NO3S

Natural Isotopic Abundance Mass: 299.34432

Mono-Isotopic Molecular Masses:

  • C12N14: 299.0616139788
  • C13N14: 315.1152913836
  • C12N15: 300.058648872
  • C13N15: 316.1123262768

InChI string: InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)

PubChem Compound (CID): 1369
CAS Registry number: 82-76-8
Sigma-Aldrich: A1028_SIAL
ChEBI: CHEBI:39708
KEGG Compound ID: C11326
MMCD: cq_07969
MDL: MFCD00003998
PDB Compound ID: 2AN

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)