8-[2,3,4-trioctyl-5,6-bis(7-oxidanyloctyl)phenyl]octan-2-ol

Systemtic Name: 8-[2,3,4-trioctyl-5,6-bis(7-oxidanyloctyl)phenyl]octan-2-ol Openeye Name: 8-[2,3-bis(7-hydroxyoctyl)-4,5,6-trioctyl-phenyl]octan-2-ol CAS Name: 8-[2,3-bis(7-hydroxyoctyl)-4,5,6-trioctylphenyl]-2-octanol IUPAC Name: 8-[2,3-bis(7-hydroxyoctyl)-4,5,6-trioctylphenyl]octan-2-ol Traditional Name: 8-[2,3-bis(7-hydroxyoctyl)-4,5,6-trioctyl-phenyl]octan-2-ol Formula: C54H102O3 MolecularWeight: 799.38588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C(=C1CCCCCCCC)CCCCCCC(C)O)CCCCCCC(C)O)CCCCCCC(C)O)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C(=C1CCCCCCCC)CCCCCCC(C)O)CCCCCCC(C)O)CCCCCCC(C)O)CCCCCCCC

InChI

InChI=1S/C54H102O3/c1-7-10-13-16-19-31-40-49-50(41-32-20-17-14-11-8-2)52(43-34-25-22-28-37-46(4)55)54(45-36-27-24-30-39-48(6)57)53(44-35-26-23-29-38-47(5)56)51(49)42-33-21-18-15-12-9-3/h46-48,55-57H,7-45H2,1-6H3