1-(2-dodecylsulfanyl-5-nitro-phenyl)ethanone

Systemtic Name: 1-(2-dodecylsulfanyl-5-nitro-phenyl)ethanone Openeye Name: 1-(2-dodecylsulfanyl-5-nitro-phenyl)ethanone CAS Name: 1-[2-(dodecylthio)-5-nitrophenyl]ethanone IUPAC Name: 1-(2-dodecylsulfanyl-5-nitrophenyl)ethanone Traditional Name: 1-[2-(laurylthio)-5-nitro-phenyl]ethanone Formula: C20H31NO3S MolecularWeight: 365.53004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO3S/c1-3-4-5-6-7-8-9-10-11-12-15-25-20-14-13-18(21(23)24)16-19(20)17(2)22/h13-14,16H,3-12,15H2,1-2H3