4-hexanoyl-3,3,5-trimethyl-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 4-hexanoyl-3,3,5-trimethyl-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 4-hexanoyl-3,3,5-trimethyl-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 3,3,5-trimethyl-6-oxo-4-(1-oxohexyl)-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 4-hexanoyl-3,3,5-trimethyl-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 4-caproyl-6-keto-3,3,5-trimethyl-cyclohexa-1,4-diene-1-carboxylic acid Formula: C16H22O4 MolecularWeight: 278.34348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(C(=O)C(=CC1(C)C)C(=O)O)C

Isomeric SMILES

CCCCCC(=O)C1=C(C(=O)C(=CC1(C)C)C(=O)O)C

InChI

InChI=1S/C16H22O4/c1-5-6-7-8-12(17)13-10(2)14(18)11(15(19)20)9-16(13,3)4/h9H,5-8H2,1-4H3,(H,19,20)