3-butyl-2,2-dimethyl-4-oxidanylidene-3H-pyran-6-carboxylic acid

Systemtic Name: 3-butyl-2,2-dimethyl-4-oxidanylidene-3H-pyran-6-carboxylic acid Openeye Name: 3-butyl-2,2-dimethyl-4-oxo-3H-pyran-6-carboxylic acid CAS Name: 3-butyl-2,2-dimethyl-4-oxo-3H-pyran-6-carboxylic acid IUPAC Name: 3-butyl-2,2-dimethyl-4-oxo-3H-pyran-6-carboxylic acid Traditional Name: 3-butyl-4-keto-2,2-dimethyl-3H-pyran-6-carboxylic acid Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)C=C(OC1(C)C)C(=O)O

Isomeric SMILES

CCCCC1C(=O)C=C(OC1(C)C)C(=O)O

InChI

InChI=1S/C12H18O4/c1-4-5-6-8-9(13)7-10(11(14)15)16-12(8,2)3/h7-8H,4-6H2,1-3H3,(H,14,15)