2-methylidene-3-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]henicosanoate

Systemtic Name: 2-methylidene-3-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]henicosanoate Openeye Name: 3-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2-methylene-henicosanoate CAS Name: 3-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-methyleneheneicosanoate IUPAC Name: 3-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-methylidenehenicosanoate Traditional Name: (E)-6-hydroxy-6-keto-2-methylene-3-stearyl-hex-4-enoate Formula: C25H43O4- MolecularWeight: 407.60652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(/C=C/C(=O)O)C(=C)C(=O)[O-]

InChI

InChI=1S/C25H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20-21-24(26)27)22(2)25(28)29/h20-21,23H,2-19H2,1H3,(H,26,27)(H,28,29)/p-1/b21-20+