1-(hexadecylsulfanylmethyl)-4-nitro-benzene

Systemtic Name: 1-(hexadecylsulfanylmethyl)-4-nitro-benzene Openeye Name: 1-(hexadecylsulfanylmethyl)-4-nitro-benzene CAS Name: 1-[(hexadecylthio)methyl]-4-nitrobenzene IUPAC Name: 1-(hexadecylsulfanylmethyl)-4-nitrobenzene Traditional Name: 1-[(cetylthio)methyl]-4-nitro-benzene Formula: C23H39NO2S MolecularWeight: 393.62626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C23H39NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-21-22-16-18-23(19-17-22)24(25)26/h16-19H,2-15,20-21H2,1H3