pentyl (E)-12-oxidanyl-19-oxidanylidene-icos-9-enoate

Systemtic Name: pentyl (E)-12-oxidanyl-19-oxidanylidene-icos-9-enoate Openeye Name: pentyl (E)-12-hydroxy-19-oxo-icos-9-enoate CAS Name: (E)-12-hydroxy-19-oxo-9-eicosenoic acid pentyl ester IUPAC Name: pentyl (E)-12-hydroxy-19-oxoicos-9-enoate Traditional Name: (E)-12-hydroxy-19-keto-eicos-9-enoic acid amyl ester Formula: C25H46O4 MolecularWeight: 410.63034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CCCCCCCC=CCC(CCCCCCC(=O)C)O

Isomeric SMILES

CCCCCOC(=O)CCCCCCC/C=C/CC(CCCCCCC(=O)C)O

InChI

InChI=1S/C25H46O4/c1-3-4-17-22-29-25(28)21-16-10-8-6-5-7-9-14-19-24(27)20-15-12-11-13-18-23(2)26/h9,14,24,27H,3-8,10-13,15-22H2,1-2H3/b14-9+