1-[2,7-dimethyl-6-(4-nitrophenyl)sulfanyl-octa-2,6-dien-3-yl]sulfanyl-4-nitro-benzene

Systemtic Name: 1-[2,7-dimethyl-6-(4-nitrophenyl)sulfanyl-octa-2,6-dien-3-yl]sulfanyl-4-nitro-benzene Openeye Name: 1-[1-isopropylidene-5-methyl-4-(4-nitrophenyl)sulfanyl-hex-4-enyl]sulfanyl-4-nitro-benzene CAS Name: 1-[[2,7-dimethyl-6-[(4-nitrophenyl)thio]octa-2,6-dien-3-yl]thio]-4-nitrobenzene IUPAC Name: 1-[2,7-dimethyl-6-(4-nitrophenyl)sulfanylocta-2,6-dien-3-yl]sulfanyl-4-nitrobenzene Traditional Name: 1-[[1-isopropylidene-5-methyl-4-[(4-nitrophenyl)thio]hex-4-enyl]thio]-4-nitro-benzene Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CCC(=C(C)C)SC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC(=C(CCC(=C(C)C)SC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C22H24N2O4S2/c1-15(2)21(29-19-9-5-17(6-10-19)23(25)26)13-14-22(16(3)4)30-20-11-7-18(8-12-20)24(27)28/h5-12H,13-14H2,1-4H3