2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-methylpropylsulfonyl)-3,5-dinitro-benzene

Systemtic Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-methylpropylsulfonyl)-3,5-dinitro-benzene Openeye Name: 1-isobutylsulfonyl-2-[(E)-2-(4-methoxyphenyl)vinyl]-3,5-dinitro-benzene CAS Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-methylpropylsulfonyl)-3,5-dinitrobenzene IUPAC Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-methylpropylsulfonyl)-3,5-dinitrobenzene Traditional Name: 1-isobutylsulfonyl-2-[(E)-2-(4-methoxyphenyl)vinyl]-3,5-dinitro-benzene Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)C1=CC(=CC(=C1C=CC2=CC=C(C=C2)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O7S/c1-13(2)12-29(26,27)19-11-15(20(22)23)10-18(21(24)25)17(19)9-6-14-4-7-16(28-3)8-5-14/h4-11,13H,12H2,1-3H3/b9-6+