2-methoxy-3-oxidanyl-4-(2-oxidanylidenebutyl)cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-methoxy-3-oxidanyl-4-(2-oxidanylidenebutyl)cyclohepta-2,4,6-trien-1-one Openeye Name: 3-hydroxy-2-methoxy-4-(2-oxobutyl)cyclohepta-2,4,6-trien-1-one CAS Name: 3-hydroxy-2-methoxy-4-(2-oxobutyl)-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-hydroxy-2-methoxy-4-(2-oxobutyl)cyclohepta-2,4,6-trien-1-one Traditional Name: 3-hydroxy-4-(2-ketobutyl)-2-methoxy-cyclohepta-2,4,6-trien-1-one Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1=CC=CC(=O)C(=C1O)OC

Isomeric SMILES

CCC(=O)CC1=CC=CC(=O)C(=C1O)OC

InChI

InChI=1S/C12H14O4/c1-3-9(13)7-8-5-4-6-10(14)12(16-2)11(8)15/h4-6,15H,3,7H2,1-2H3