1-dodecylsulfanyl-2-nitro-4-(trifluoromethyl)benzene

Systemtic Name: 1-dodecylsulfanyl-2-nitro-4-(trifluoromethyl)benzene Openeye Name: 1-dodecylsulfanyl-2-nitro-4-(trifluoromethyl)benzene CAS Name: 1-(dodecylthio)-2-nitro-4-(trifluoromethyl)benzene IUPAC Name: 1-dodecylsulfanyl-2-nitro-4-(trifluoromethyl)benzene Traditional Name: 1-(laurylthio)-2-nitro-4-(trifluoromethyl)benzene Formula: C19H28F3NO2S MolecularWeight: 391.49133

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCSC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H28F3NO2S/c1-2-3-4-5-6-7-8-9-10-11-14-26-18-13-12-16(19(20,21)22)15-17(18)23(24)25/h12-13,15H,2-11,14H2,1H3