1-[2,3-bis(3-oxidanylhexadecyl)cyclohexa-1,3-dien-1-yl]hexadecan-3-ol

Systemtic Name: 1-[2,3-bis(3-oxidanylhexadecyl)cyclohexa-1,3-dien-1-yl]hexadecan-3-ol Openeye Name: 1-[2,3-bis(3-hydroxyhexadecyl)cyclohexa-1,3-dien-1-yl]hexadecan-3-ol CAS Name: 1-[2,3-bis(3-hydroxyhexadecyl)-1-cyclohexa-1,3-dienyl]-3-hexadecanol IUPAC Name: 1-[2,3-bis(3-hydroxyhexadecyl)cyclohexa-1,3-dien-1-yl]hexadecan-3-ol Traditional Name: 1-[2,3-bis(3-hydroxyhexadecyl)cyclohexa-1,3-dien-1-yl]hexadecan-3-ol Formula: C54H104O3 MolecularWeight: 801.40176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCC1=C(C(=CCC1)CCC(CCCCCCCCCCCCC)O)CCC(CCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCC(CCC1=C(C(=CCC1)CCC(CCCCCCCCCCCCC)O)CCC(CCCCCCCCCCCCC)O)O

InChI

InChI=1S/C54H104O3/c1-4-7-10-13-16-19-22-25-28-31-34-40-51(55)45-43-49-38-37-39-50(44-46-52(56)41-35-32-29-26-23-20-17-14-11-8-5-2)54(49)48-47-53(57)42-36-33-30-27-24-21-18-15-12-9-6-3/h38,51-53,55-57H,4-37,39-48H2,1-3H3