tetracosan-6-yl 5-octadecyl-2-oxidanyl-benzoate

Systemtic Name: tetracosan-6-yl 5-octadecyl-2-oxidanyl-benzoate Openeye Name: 1-pentylnonadecyl 2-hydroxy-5-octadecyl-benzoate CAS Name: 2-hydroxy-5-octadecylbenzoic acid tetracosan-6-yl ester IUPAC Name: tetracosan-6-yl 2-hydroxy-5-octadecylbenzoate Traditional Name: 2-hydroxy-5-stearyl-benzoic acid 1-amylnonadecyl ester Formula: C49H90O3 MolecularWeight: 727.2371

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)O)C(=O)OC(CCCCC)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)O)C(=O)OC(CCCCC)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C49H90O3/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-37-39-45-42-43-48(50)47(44-45)49(51)52-46(40-36-9-6-3)41-38-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h42-44,46,50H,4-41H2,1-3H3