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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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

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