5-ethyl-2-methylidene-3-[(E)-2-methyl-3-oxidanyl-3-oxidanylidene-prop-1-enyl]nonanoate

Systemtic Name: 5-ethyl-2-methylidene-3-[(E)-2-methyl-3-oxidanyl-3-oxidanylidene-prop-1-enyl]nonanoate Openeye Name: 5-ethyl-3-[(E)-3-hydroxy-2-methyl-3-oxo-prop-1-enyl]-2-methylene-nonanoate CAS Name: 5-ethyl-3-[(E)-3-hydroxy-2-methyl-3-oxoprop-1-enyl]-2-methylenenonanoate IUPAC Name: 5-ethyl-3-[(E)-3-hydroxy-2-methyl-3-oxoprop-1-enyl]-2-methylidenenonanoate Traditional Name: (E)-3-(2-ethylhexyl)-6-hydroxy-6-keto-5-methyl-2-methylene-hex-4-enoate Formula: C16H25O4- MolecularWeight: 281.3673

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C=C(C)C(=O)O)C(=C)C(=O)[O-]

Isomeric SMILES

CCCCC(CC)CC(/C=C(\C)/C(=O)O)C(=C)C(=O)[O-]

InChI

InChI=1S/C16H26O4/c1-5-7-8-13(6-2)10-14(12(4)16(19)20)9-11(3)15(17)18/h9,13-14H,4-8,10H2,1-3H3,(H,17,18)(H,19,20)/p-1/b11-9+