1-[5-octadecyl-2,3-bis(oxidanyl)phenyl]octadecan-1-one

Systemtic Name: 1-[5-octadecyl-2,3-bis(oxidanyl)phenyl]octadecan-1-one Openeye Name: 1-(2,3-dihydroxy-5-octadecyl-phenyl)octadecan-1-one CAS Name: 1-(2,3-dihydroxy-5-octadecylphenyl)-1-octadecanone IUPAC Name: 1-(2,3-dihydroxy-5-octadecylphenyl)octadecan-1-one Traditional Name: 1-(2,3-dihydroxy-5-stearyl-phenyl)octadecan-1-one Formula: C42H76O3 MolecularWeight: 629.05104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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