1-(2,4-dinitrophenoxy)-4-methyl-pent-3-ene-1,2,3-triol

Systemtic Name: 1-(2,4-dinitrophenoxy)-4-methyl-pent-3-ene-1,2,3-triol Openeye Name: 1-(2,4-dinitrophenoxy)-4-methyl-pent-3-ene-1,2,3-triol CAS Name: 1-(2,4-dinitrophenoxy)-4-methyl-3-pentene-1,2,3-triol IUPAC Name: 1-(2,4-dinitrophenoxy)-4-methylpent-3-ene-1,2,3-triol Traditional Name: 1-(2,4-dinitrophenoxy)-4-methyl-pent-3-ene-1,2,3-triol Formula: C12H14N2O8 MolecularWeight: 314.24816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(C(O)OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])O)O)C

Isomeric SMILES

CC(=C(C(C(O)OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])O)O)C

InChI

InChI=1S/C12H14N2O8/c1-6(2)10(15)11(16)12(17)22-9-4-3-7(13(18)19)5-8(9)14(20)21/h3-5,11-12,15-17H,1-2H3