2-bromanyl-2-nitro-propane-1,3-diol; (2E,4E)-hexa-2,4-dienoic acid

Systemtic Name: 2-bromanyl-2-nitro-propane-1,3-diol; (2E,4E)-hexa-2,4-dienoic acid Openeye Name: 2-bromo-2-nitro-propane-1,3-diol; (2E,4E)-hexa-2,4-dienoic acid CAS Name: 2-bromo-2-nitropropane-1,3-diol; (2E,4E)-hexa-2,4-dienoic acid IUPAC Name: 2-bromo-2-nitropropane-1,3-diol; (2E,4E)-hexa-2,4-dienoic acid Traditional Name: 2-bromo-2-nitro-propane-1,3-diol; (2E,4E)-hexa-2,4-dienoic acid Formula: C9H14BrNO6 MolecularWeight: 312.11456

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)O.C(C(CO)([N+](=O)[O-])Br)O

Isomeric SMILES

C/C=C/C=C/C(=O)O.C(C(CO)([N+](=O)[O-])Br)O

InChI

InChI=1S/C6H8O2.C3H6BrNO4/c1-2-3-4-5-6(7)8;4-3(1-6,2-7)5(8)9/h2-5H,1H3,(H,7,8);6-7H,1-2H2/b3-2+,5-4+;