1-nitro-4-[(E)-2-(4-octylsulfanylphenyl)ethenyl]benzene

Systemtic Name: 1-nitro-4-[(E)-2-(4-octylsulfanylphenyl)ethenyl]benzene Openeye Name: 1-nitro-4-[(E)-2-(4-octylsulfanylphenyl)vinyl]benzene CAS Name: 1-nitro-4-[(E)-2-[4-(octylthio)phenyl]ethenyl]benzene IUPAC Name: 1-nitro-4-[(E)-2-(4-octylsulfanylphenyl)ethenyl]benzene Traditional Name: 1-nitro-4-[(E)-2-[4-(octylthio)phenyl]vinyl]benzene Formula: C22H27NO2S MolecularWeight: 369.52028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC=C(C=C1)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCSC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H27NO2S/c1-2-3-4-5-6-7-18-26-22-16-12-20(13-17-22)9-8-19-10-14-21(15-11-19)23(24)25/h8-17H,2-7,18H2,1H3/b9-8+