phenyl 3,3,3-trinitropropane-1-sulfonate

Systemtic Name: phenyl 3,3,3-trinitropropane-1-sulfonate Openeye Name: phenyl 3,3,3-trinitropropane-1-sulfonate CAS Name: 3,3,3-trinitro-1-propanesulfonic acid IUPAC Name: phenyl 3,3,3-trinitropropane-1-sulfonate Traditional Name: 3,3,3-trinitropropane-1-sulfonic acid phenyl ester Formula: C9H9N3O9S MolecularWeight: 335.24746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H9N3O9S/c13-10(14)9(11(15)16,12(17)18)6-7-22(19,20)21-8-4-2-1-3-5-8/h1-5H,6-7H2