[4-(2-heptylsulfanylethylsulfanyl)-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-(2-heptylsulfanylethylsulfanyl)-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-(2-heptylsulfanylethylsulfanyl)-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[2-(heptylthio)ethylthio]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-(2-heptylsulfanylethylsulfanyl)-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[2-(heptylthio)ethylthio]-3-nitro-phenyl]-phenyl-methanone Formula: C22H27NO3S2 MolecularWeight: 417.58468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSCCSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCSCCSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H27NO3S2/c1-2-3-4-5-9-14-27-15-16-28-21-13-12-19(17-20(21)23(25)26)22(24)18-10-7-6-8-11-18/h6-8,10-13,17H,2-5,9,14-16H2,1H3