3-bromanyl-5-ethanoyl-2-methyl-6-oxidanyl-pyran-4-one; guanidine

Systemtic Name: 3-bromanyl-5-ethanoyl-2-methyl-6-oxidanyl-pyran-4-one; guanidine Openeye Name: 3-acetyl-5-bromo-2-hydroxy-6-methyl-pyran-4-one; guanidine CAS Name: 3-acetyl-5-bromo-2-hydroxy-6-methyl-4-pyranone; guanidine IUPAC Name: 3-acetyl-5-bromo-2-hydroxy-6-methylpyran-4-one; guanidine Traditional Name: 3-acetyl-5-bromo-2-hydroxy-6-methyl-pyran-4-one; guanidine Formula: C9H12BrN3O4 MolecularWeight: 306.11328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(O1)O)C(=O)C)Br.C(=N)(N)N

Isomeric SMILES

CC1=C(C(=O)C(=C(O1)O)C(=O)C)Br.C(=N)(N)N

InChI

InChI=1S/C8H7BrO4.CH5N3/c1-3(10)5-7(11)6(9)4(2)13-8(5)12;2-1(3)4/h12H,1-2H3;(H5,2,3,4)