16-methylheptadecyl (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: 16-methylheptadecyl (E)-12-oxidanyloctadec-9-enoate Openeye Name: 16-methylheptadecyl (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid 16-methylheptadecyl ester IUPAC Name: 16-methylheptadecyl (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid 16-methylheptadecyl ester Formula: C36H70O3 MolecularWeight: 550.9392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C)O

InChI

InChI=1S/C36H70O3/c1-4-5-6-25-30-35(37)31-26-21-17-13-14-18-22-27-32-36(38)39-33-28-23-19-15-11-9-7-8-10-12-16-20-24-29-34(2)3/h21,26,34-35,37H,4-20,22-25,27-33H2,1-3H3/b26-21+