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2-butanoyl-4-(3-ethanoyl-4-oxidanyl-phenyl)-3-oxidanyl-cyclohex-2-en-1-one

2-butanoyl-4-(3-ethanoyl-4-oxidanyl-phenyl)-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name:2-butanoyl-4-(3-ethanoyl-4-oxidanyl-phenyl)-3-oxidanyl-cyclohex-2-en-1-one
Openeye Name:4-(3-acetyl-4-hydroxy-phenyl)-2-butanoyl-3-hydroxy-cyclohex-2-en-1-one
CAS Name:4-(3-acetyl-4-hydroxyphenyl)-3-hydroxy-2-(1-oxobutyl)-1-cyclohex-2-enone
IUPAC Name:4-(3-acetyl-4-hydroxyphenyl)-2-butanoyl-3-hydroxycyclohex-2-en-1-one
Traditional Name:4-(3-acetyl-4-hydroxy-phenyl)-2-butyryl-3-hydroxy-cyclohex-2-en-1-one
Formula: C18H20O5
MolecularWeight: 316.3484
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(CCC1=O)C2=CC(=C(C=C2)O)C(=O)C)O


Isomeric SMILES

CCCC(=O)C1=C(C(CCC1=O)C2=CC(=C(C=C2)O)C(=O)C)O


InChI

InChI=1S/C18H20O5/c1-3-4-15(21)17-16(22)8-6-12(18(17)23)11-5-7-14(20)13(9-11)10(2)19/h5,7,9,12,20,23H,3-4,6,8H2,1-2H3


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