pentacosyl (E)-9-oxidanylnonadec-7-enoate

Systemtic Name: pentacosyl (E)-9-oxidanylnonadec-7-enoate Openeye Name: pentacosyl (E)-9-hydroxynonadec-7-enoate CAS Name: (E)-9-hydroxy-7-nonadecenoic acid pentacosyl ester IUPAC Name: pentacosyl (E)-9-hydroxynonadec-7-enoate Traditional Name: (E)-9-hydroxynonadec-7-enoic acid pentacosyl ester Formula: C44H86O3 MolecularWeight: 663.15184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCC=CC(CCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCC/C=C/C(CCCCCCCCCC)O

InChI

InChI=1S/C44H86O3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-34-38-42-47-44(46)41-37-33-30-32-36-40-43(45)39-35-31-28-12-10-8-6-4-2/h36,40,43,45H,3-35,37-39,41-42H2,1-2H3/b40-36+