2-[(2-bromanyl-4-butoxy-5-methoxy-phenyl)-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[(2-bromanyl-4-butoxy-5-methoxy-phenyl)-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-[(2-bromo-4-butoxy-5-methoxy-phenyl)-(2-hydroxy-6-oxo-cyclohexen-1-yl)methyl]-3-hydroxy-cyclohex-2-en-1-one CAS Name: 2-[(2-bromo-4-butoxy-5-methoxyphenyl)-(2-hydroxy-6-oxo-1-cyclohexenyl)methyl]-3-hydroxy-1-cyclohex-2-enone IUPAC Name: 2-[(2-bromo-4-butoxy-5-methoxyphenyl)-(2-hydroxy-6-oxocyclohexen-1-yl)methyl]-3-hydroxycyclohex-2-en-1-one Traditional Name: 2-[(2-bromo-4-butoxy-5-methoxy-phenyl)-(2-hydroxy-6-keto-cyclohexen-1-yl)methyl]-3-hydroxy-cyclohex-2-en-1-one Formula: C24H29BrO6 MolecularWeight: 493.38746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1)Br)C(C2=C(CCCC2=O)O)C3=C(CCCC3=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1)Br)C(C2=C(CCCC2=O)O)C3=C(CCCC3=O)O)OC

InChI

InChI=1S/C24H29BrO6/c1-3-4-11-31-21-13-15(25)14(12-20(21)30-2)22(23-16(26)7-5-8-17(23)27)24-18(28)9-6-10-19(24)29/h12-13,22,26,28H,3-11H2,1-2H3