1-isocyano-2-(propylsulfonylmethyl)benzene

Systemtic Name: 1-isocyano-2-(propylsulfonylmethyl)benzene Openeye Name: 1-isocyano-2-(propylsulfonylmethyl)benzene CAS Name: 1-isocyano-2-(propylsulfonylmethyl)benzene IUPAC Name: 1-isocyano-2-(propylsulfonylmethyl)benzene Traditional Name: 1-isocyano-2-(propylsulfonylmethyl)benzene Formula: C11H13NO2S MolecularWeight: 223.29142

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)CC1=CC=CC=C1[N+]#[C-]

Isomeric SMILES

CCCS(=O)(=O)CC1=CC=CC=C1[N+]#[C-]

InChI

InChI=1S/C11H13NO2S/c1-3-8-15(13,14)9-10-6-4-5-7-11(10)12-2/h4-7H,3,8-9H2,1H3