3-(2-bromanyl-4-methyl-phenyl)-5-methyl-6-pentyl-pyran-2,4-dione

Systemtic Name: 3-(2-bromanyl-4-methyl-phenyl)-5-methyl-6-pentyl-pyran-2,4-dione Openeye Name: 3-(2-bromo-4-methyl-phenyl)-5-methyl-6-pentyl-pyran-2,4-dione CAS Name: 3-(2-bromo-4-methylphenyl)-5-methyl-6-pentylpyran-2,4-dione IUPAC Name: 3-(2-bromo-4-methylphenyl)-5-methyl-6-pentylpyran-2,4-dione Traditional Name: 6-amyl-3-(2-bromo-4-methyl-phenyl)-5-methyl-pyran-2,4-quinone Formula: C18H21BrO3 MolecularWeight: 365.26154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=O)C(C(=O)O1)C2=C(C=C(C=C2)C)Br)C

Isomeric SMILES

CCCCCC1=C(C(=O)C(C(=O)O1)C2=C(C=C(C=C2)C)Br)C

InChI

InChI=1S/C18H21BrO3/c1-4-5-6-7-15-12(3)17(20)16(18(21)22-15)13-9-8-11(2)10-14(13)19/h8-10,16H,4-7H2,1-3H3