8-azido-3-propanoyl-pyrene-1-sulfonic acid

Systemtic Name: 8-azido-3-propanoyl-pyrene-1-sulfonic acid Openeye Name: 8-azido-3-propanoyl-pyrene-1-sulfonic acid CAS Name: 8-azido-3-(1-oxopropyl)-1-pyrenesulfonic acid IUPAC Name: 8-azido-3-propanoylpyrene-1-sulfonic acid Traditional Name: 8-azido-3-propionyl-pyrene-1-sulfonic acid Formula: C19H13N3O4S MolecularWeight: 379.38922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C2C=CC3=C(C=CC4=C3C2=C1C=C4)N=[N+]=[N-])S(=O)(=O)O

Isomeric SMILES

CCC(=O)C1=CC(=C2C=CC3=C(C=CC4=C3C2=C1C=C4)N=[N+]=[N-])S(=O)(=O)O

InChI

InChI=1S/C19H13N3O4S/c1-2-16(23)14-9-17(27(24,25)26)13-7-6-12-15(21-22-20)8-4-10-3-5-11(14)19(13)18(10)12/h3-9H,2H2,1H3,(H,24,25,26)