(2-butyl-1-oxidanyl-octyl) (E)-octadec-9-enoate

Systemtic Name: (2-butyl-1-oxidanyl-octyl) (E)-octadec-9-enoate Openeye Name: (2-butyl-1-hydroxy-octyl) (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid (2-butyl-1-hydroxyoctyl) ester IUPAC Name: (2-butyl-1-hydroxyoctyl) (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid (2-butyl-1-hydroxy-octyl) ester Formula: C30H58O3 MolecularWeight: 466.77972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(C(CCCC)CCCCCC)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(C(CCCC)CCCCCC)O

InChI

InChI=1S/C30H58O3/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-22-24-27-29(31)33-30(32)28(25-9-6-3)26-23-11-8-5-2/h16-17,28,30,32H,4-15,18-27H2,1-3H3/b17-16+