(4-octadecyl-2-oxidanyl-phenyl) octadecanoate

Systemtic Name: (4-octadecyl-2-oxidanyl-phenyl) octadecanoate Openeye Name: (2-hydroxy-4-octadecyl-phenyl) octadecanoate CAS Name: octadecanoic acid (2-hydroxy-4-octadecylphenyl) ester IUPAC Name: (2-hydroxy-4-octadecylphenyl) octadecanoate Traditional Name: stearic acid (2-hydroxy-4-stearyl-phenyl) ester Formula: C42H76O3 MolecularWeight: 629.05104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)OC(=O)CCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)OC(=O)CCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C42H76O3/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-39-36-37-41(40(43)38-39)45-42(44)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h36-38,43H,3-35H2,1-2H3