(3E,9E)-dodeca-3,9-diene; (2-methyl-4,6-dinitro-phenyl) (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl)methanesulfonate

Systemtic Name: (3E,9E)-dodeca-3,9-diene; (2-methyl-4,6-dinitro-phenyl) (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl)methanesulfonate Openeye Name: (3E,9E)-dodeca-3,9-diene; (2-methyl-4,6-dinitro-phenyl) (2-ethoxy-3,3-dimethyl-2H-benzofuran-5-yl)methanesulfonate CAS Name: (3E,9E)-dodeca-3,9-diene; (2-ethoxy-3,3-dimethyl-2H-benzofuran-5-yl)methanesulfonic acid (2-methyl-4,6-dinitrophenyl) ester IUPAC Name: (3E,9E)-dodeca-3,9-diene; (2-methyl-4,6-dinitrophenyl) (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl)methanesulfonate Traditional Name: (3E,9E)-dodeca-3,9-diene; (2-ethoxy-3,3-dimethyl-coumaran-5-yl)methanesulfonic acid (2-methyl-4,6-dinitro-phenyl) ester Formula: C32H44N2O9S MolecularWeight: 632.76476

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCCCC=CCC.CCOC1C(C2=C(O1)C=CC(=C2)CS(=O)(=O)OC3=C(C=C(C=C3C)[N+](=O)[O-])[N+](=O)[O-])(C)C

Isomeric SMILES

CC/C=C/CCCC/C=C/CC.CCOC1OC2=C(C1(C)C)C=C(C=C2)CS(=O)(=O)OC3=C(C=C(C=C3C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O9S.C12H22/c1-5-29-19-20(3,4)15-9-13(6-7-17(15)30-19)11-32(27,28)31-18-12(2)8-14(21(23)24)10-16(18)22(25)26;1-3-5-7-9-11-12-10-8-6-4-2/h6-10,19H,5,11H2,1-4H3;5-8H,3-4,9-12H2,1-2H3/b;7-5+,8-6+