2-octadecyl-6-[[3-octadecyl-2,5-bis(oxidanyl)phenyl]methyl]benzene-1,4-diol

Systemtic Name: 2-octadecyl-6-[[3-octadecyl-2,5-bis(oxidanyl)phenyl]methyl]benzene-1,4-diol Openeye Name: 2-[(2,5-dihydroxy-3-octadecyl-phenyl)methyl]-6-octadecyl-benzene-1,4-diol CAS Name: 2-[(2,5-dihydroxy-3-octadecylphenyl)methyl]-6-octadecylbenzene-1,4-diol IUPAC Name: 2-[(2,5-dihydroxy-3-octadecylphenyl)methyl]-6-octadecylbenzene-1,4-diol Traditional Name: 2-(2,5-dihydroxy-3-stearyl-benzyl)-6-stearyl-hydroquinone Formula: C49H84O4 MolecularWeight: 737.18886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=CC(=C1)O)CC2=CC(=CC(=C2O)CCCCCCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=CC(=C1)O)CC2=CC(=CC(=C2O)CCCCCCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C49H84O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42-38-46(50)40-44(48(42)52)37-45-41-47(51)39-43(49(45)53)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-41,50-53H,3-37H2,1-2H3