2-[(E)-2-[2-(2-methylpropylsulfonyl)-4,6-dinitro-phenyl]ethenyl]furan

Systemtic Name: 2-[(E)-2-[2-(2-methylpropylsulfonyl)-4,6-dinitro-phenyl]ethenyl]furan Openeye Name: 2-[(E)-2-(2-isobutylsulfonyl-4,6-dinitro-phenyl)vinyl]furan CAS Name: 2-[(E)-2-[2-(2-methylpropylsulfonyl)-4,6-dinitrophenyl]ethenyl]furan IUPAC Name: 2-[(E)-2-[2-(2-methylpropylsulfonyl)-4,6-dinitrophenyl]ethenyl]furan Traditional Name: 2-[(E)-2-(2-isobutylsulfonyl-4,6-dinitro-phenyl)vinyl]furan Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)C1=CC(=CC(=C1C=CC2=CC=CO2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CS(=O)(=O)C1=CC(=CC(=C1/C=C/C2=CC=CO2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O7S/c1-11(2)10-26(23,24)16-9-12(17(19)20)8-15(18(21)22)14(16)6-5-13-4-3-7-25-13/h3-9,11H,10H2,1-2H3/b6-5+