1-hexadecylsulfanyl-2-nitro-benzene

Systemtic Name: 1-hexadecylsulfanyl-2-nitro-benzene Openeye Name: 1-hexadecylsulfanyl-2-nitro-benzene CAS Name: 1-(hexadecylthio)-2-nitrobenzene IUPAC Name: 1-hexadecylsulfanyl-2-nitrobenzene Traditional Name: 1-(cetylthio)-2-nitro-benzene Formula: C22H37NO2S MolecularWeight: 379.59968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C22H37NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-26-22-19-16-15-18-21(22)23(24)25/h15-16,18-19H,2-14,17,20H2,1H3