2,2,5-trimethyl-3-oxidanylidene-4-[(E)-prop-1-enyl]decanoic acid

Systemtic Name: 2,2,5-trimethyl-3-oxidanylidene-4-[(E)-prop-1-enyl]decanoic acid Openeye Name: 2,2,5-trimethyl-3-oxo-4-[(E)-prop-1-enyl]decanoic acid CAS Name: 2,2,5-trimethyl-3-oxo-4-[(E)-prop-1-enyl]decanoic acid IUPAC Name: 2,2,5-trimethyl-3-oxo-4-[(E)-prop-1-enyl]decanoic acid Traditional Name: (E)-3-keto-2,2-dimethyl-4-(1-methylhexyl)hept-5-enoic acid Formula: C16H28O3 MolecularWeight: 268.39172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(C=CC)C(=O)C(C)(C)C(=O)O

Isomeric SMILES

CCCCCC(C)C(/C=C/C)C(=O)C(C)(C)C(=O)O

InChI

InChI=1S/C16H28O3/c1-6-8-9-11-12(3)13(10-7-2)14(17)16(4,5)15(18)19/h7,10,12-13H,6,8-9,11H2,1-5H3,(H,18,19)/b10-7+