4-methyl-2-oxidanylidene-3-[(E)-prop-1-enyl]nonanoic acid

Systemtic Name: 4-methyl-2-oxidanylidene-3-[(E)-prop-1-enyl]nonanoic acid Openeye Name: 4-methyl-2-oxo-3-[(E)-prop-1-enyl]nonanoic acid CAS Name: 4-methyl-2-oxo-3-[(E)-prop-1-enyl]nonanoic acid IUPAC Name: 4-methyl-2-oxo-3-[(E)-prop-1-enyl]nonanoic acid Traditional Name: (E)-2-keto-3-(1-methylhexyl)hex-4-enoic acid Formula: C13H22O3 MolecularWeight: 226.31198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22O3/c1-4-6-7-9-10(3)11(8-5-2)12(14)13(15)16/h5,8,10-11H,4,6-7,9H2,1-3H3,(H,15,16)/b8-5+