5-(3-bromanyl-2,4,6-trimethyl-phenyl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(3-bromanyl-2,4,6-trimethyl-phenyl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 5-(3-bromo-2,4,6-trimethyl-phenyl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione CAS Name: 5-(3-bromo-2,4,6-trimethylphenyl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione IUPAC Name: 5-(3-bromo-2,4,6-trimethylphenyl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione Traditional Name: 5-(3-bromo-2,4,6-trimethyl-phenyl)-2-(1-hydroxypropylidene)cyclohexane-1,3-quinone Formula: C18H21BrO3 MolecularWeight: 365.26154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=C(C(=C(C=C2C)C)Br)C)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=C(C(=C(C=C2C)C)Br)C)O

InChI

InChI=1S/C18H21BrO3/c1-5-13(20)17-14(21)7-12(8-15(17)22)16-9(2)6-10(3)18(19)11(16)4/h6,12,20H,5,7-8H2,1-4H3