methyl (2S,3S)-3-oxidanyl-2-[(E)-prop-1-enyl]octadecanoate

Systemtic Name: methyl (2S,3S)-3-oxidanyl-2-[(E)-prop-1-enyl]octadecanoate Openeye Name: methyl (2S,3S)-3-hydroxy-2-[(E)-prop-1-enyl]octadecanoate CAS Name: (2S,3S)-3-hydroxy-2-[(E)-prop-1-enyl]octadecanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-hydroxy-2-[(E)-prop-1-enyl]octadecanoate Traditional Name: (E,2S)-2-[(1S)-1-hydroxyhexadecyl]pent-3-enoic acid methyl ester Formula: C22H42O3 MolecularWeight: 354.56708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C=CC)C(=O)OC)O

Isomeric SMILES

CCCCCCCCCCCCCCC[C@@H]([C@H](/C=C/C)C(=O)OC)O

InChI

InChI=1S/C22H42O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-21(23)20(18-5-2)22(24)25-3/h5,18,20-21,23H,4,6-17,19H2,1-3H3/b18-5+/t20-,21-/m0/s1