ethyl (E)-2-(3-methylbut-2-enyl)-3-oxidanyl-5-oxidanylidene-icos-3-enoate

Systemtic Name: ethyl (E)-2-(3-methylbut-2-enyl)-3-oxidanyl-5-oxidanylidene-icos-3-enoate Openeye Name: ethyl (E)-3-hydroxy-2-(3-methylbut-2-enyl)-5-oxo-icos-3-enoate CAS Name: (E)-3-hydroxy-2-(3-methylbut-2-enyl)-5-oxo-3-eicosenoic acid ethyl ester IUPAC Name: ethyl (E)-3-hydroxy-2-(3-methylbut-2-enyl)-5-oxoicos-3-enoate Traditional Name: (E)-3-hydroxy-5-keto-2-(3-methylbut-2-enyl)eicos-3-enoic acid ethyl ester Formula: C27H48O4 MolecularWeight: 436.66762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C=C(C(CC=C(C)C)C(=O)OCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)/C=C(\C(CC=C(C)C)C(=O)OCC)/O

InChI

InChI=1S/C27H48O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)22-26(29)25(21-20-23(3)4)27(30)31-6-2/h20,22,25,29H,5-19,21H2,1-4H3/b26-22+