2-nitroheptylsulfanylbenzene

Systemtic Name: 2-nitroheptylsulfanylbenzene Openeye Name: 2-nitroheptylsulfanylbenzene CAS Name: (2-nitroheptylthio)benzene IUPAC Name: 2-nitroheptylsulfanylbenzene Traditional Name: (2-nitroheptylthio)benzene Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CSC1=CC=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(CSC1=CC=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H19NO2S/c1-2-3-5-8-12(14(15)16)11-17-13-9-6-4-7-10-13/h4,6-7,9-10,12H,2-3,5,8,11H2,1H3