(E)-1-[4-bromanyl-2,5-bis(oxidanyl)phenyl]-3,7-dimethyl-7-oxidanyl-oct-2-en-1-one

Systemtic Name: (E)-1-[4-bromanyl-2,5-bis(oxidanyl)phenyl]-3,7-dimethyl-7-oxidanyl-oct-2-en-1-one Openeye Name: (E)-1-(4-bromo-2,5-dihydroxy-phenyl)-7-hydroxy-3,7-dimethyl-oct-2-en-1-one CAS Name: (E)-1-(4-bromo-2,5-dihydroxyphenyl)-7-hydroxy-3,7-dimethyl-2-octen-1-one IUPAC Name: (E)-1-(4-bromo-2,5-dihydroxyphenyl)-7-hydroxy-3,7-dimethyloct-2-en-1-one Traditional Name: (E)-1-(4-bromo-2,5-dihydroxy-phenyl)-7-hydroxy-3,7-dimethyl-oct-2-en-1-one Formula: C16H21BrO4 MolecularWeight: 357.23954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=CC(=C(C=C1O)Br)O)CCCC(C)(C)O

Isomeric SMILES

C/C(=C\C(=O)C1=CC(=C(C=C1O)Br)O)/CCCC(C)(C)O

InChI

InChI=1S/C16H21BrO4/c1-10(5-4-6-16(2,3)21)7-13(18)11-8-15(20)12(17)9-14(11)19/h7-9,19-21H,4-6H2,1-3H3/b10-7+