1-methyl-4-(2-nitro-1-pentylsulfanyl-ethyl)benzene

Systemtic Name: 1-methyl-4-(2-nitro-1-pentylsulfanyl-ethyl)benzene Openeye Name: 1-methyl-4-(2-nitro-1-pentylsulfanyl-ethyl)benzene CAS Name: 1-methyl-4-[2-nitro-1-(pentylthio)ethyl]benzene IUPAC Name: 1-methyl-4-(2-nitro-1-pentylsulfanylethyl)benzene Traditional Name: 1-[1-(amylthio)-2-nitro-ethyl]-4-methyl-benzene Formula: C14H21NO2S MolecularWeight: 267.38704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2S/c1-3-4-5-10-18-14(11-15(16)17)13-8-6-12(2)7-9-13/h6-9,14H,3-5,10-11H2,1-2H3