2-nitroheptan-3-ylsulfanylbenzene

Systemtic Name: 2-nitroheptan-3-ylsulfanylbenzene Openeye Name: 1-(1-nitroethyl)pentylsulfanylbenzene CAS Name: (2-nitroheptan-3-ylthio)benzene IUPAC Name: 2-nitroheptan-3-ylsulfanylbenzene Traditional Name: [1-(1-nitroethyl)pentylthio]benzene Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)[N+](=O)[O-])SC1=CC=CC=C1

Isomeric SMILES

CCCCC(C(C)[N+](=O)[O-])SC1=CC=CC=C1

InChI

InChI=1S/C13H19NO2S/c1-3-4-10-13(11(2)14(15)16)17-12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3