2-[3-(azidomethyl)-4-oxidanyl-phenyl]-2-sulfo-ethanoic acid

Systemtic Name: 2-[3-(azidomethyl)-4-oxidanyl-phenyl]-2-sulfo-ethanoic acid Openeye Name: 2-[3-(azidomethyl)-4-hydroxy-phenyl]-2-sulfo-acetic acid CAS Name: 2-[3-(azidomethyl)-4-hydroxyphenyl]-2-sulfoacetic acid IUPAC Name: 2-[3-(azidomethyl)-4-hydroxyphenyl]-2-sulfoacetic acid Traditional Name: 2-[3-(azidomethyl)-4-hydroxy-phenyl]-2-sulfo-acetic acid Formula: C9H9N3O6S MolecularWeight: 287.24926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(C(=O)O)S(=O)(=O)O)CN=[N+]=[N-])O

Isomeric SMILES

C1=CC(=C(C=C1C(C(=O)O)S(=O)(=O)O)CN=[N+]=[N-])O

InChI

InChI=1S/C9H9N3O6S/c10-12-11-4-6-3-5(1-2-7(6)13)8(9(14)15)19(16,17)18/h1-3,8,13H,4H2,(H,14,15)(H,16,17,18)