1-[3-(2,4-dinitrophenyl)sulfonylbuta-1,3-dien-2-ylsulfonyl]-2,4-dinitro-benzene

Systemtic Name: 1-[3-(2,4-dinitrophenyl)sulfonylbuta-1,3-dien-2-ylsulfonyl]-2,4-dinitro-benzene Openeye Name: 1-[2-(2,4-dinitrophenyl)sulfonyl-1-methylene-allyl]sulfonyl-2,4-dinitro-benzene CAS Name: 1-[3-(2,4-dinitrophenyl)sulfonylbuta-1,3-dien-2-ylsulfonyl]-2,4-dinitrobenzene IUPAC Name: 1-[3-(2,4-dinitrophenyl)sulfonylbuta-1,3-dien-2-ylsulfonyl]-2,4-dinitrobenzene Traditional Name: 1-[2-(2,4-dinitrophenyl)sulfonyl-1-methylene-allyl]sulfonyl-2,4-dinitro-benzene Formula: C16H10N4O12S2 MolecularWeight: 514.4002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N4O12S2/c1-9(33(29,30)15-5-3-11(17(21)22)7-13(15)19(25)26)10(2)34(31,32)16-6-4-12(18(23)24)8-14(16)20(27)28/h3-8H,1-2H2