3-[(E)-2-nitroprop-1-enyl]benzenethiol

Systemtic Name: 3-[(E)-2-nitroprop-1-enyl]benzenethiol Openeye Name: 3-[(E)-2-nitroprop-1-enyl]benzenethiol CAS Name: 3-[(E)-2-nitroprop-1-enyl]benzenethiol IUPAC Name: 3-[(E)-2-nitroprop-1-enyl]benzenethiol Traditional Name: 3-[(E)-2-nitroprop-1-enyl]benzenethiol Formula: C9H9NO2S MolecularWeight: 195.23826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=CC=C1)S)[N+](=O)[O-]

Isomeric SMILES

C/C(=C\C1=CC(=CC=C1)S)/[N+](=O)[O-]

InChI

InChI=1S/C9H9NO2S/c1-7(10(11)12)5-8-3-2-4-9(13)6-8/h2-6,13H,1H3/b7-5+