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

Systemtic Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,5-dinitro-3-(phenylmethyl)sulfonyl-benzene Openeye Name: 1-benzylsulfonyl-2-[(E)-2-(4-methoxyphenyl)vinyl]-3,5-dinitro-benzene CAS Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,5-dinitro-3-(phenylmethyl)sulfonylbenzene IUPAC Name: 1-benzylsulfonyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3,5-dinitrobenzene Traditional Name: 1-benzylsulfonyl-2-[(E)-2-(4-methoxyphenyl)vinyl]-3,5-dinitro-benzene Formula: C22H18N2O7S MolecularWeight: 454.45252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC2=C(C=C(C=C2S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C2=C(C=C(C=C2S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O7S/c1-31-19-10-7-16(8-11-19)9-12-20-21(24(27)28)13-18(23(25)26)14-22(20)32(29,30)15-17-5-3-2-4-6-17/h2-14H,15H2,1H3/b12-9+