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Details

Stereochemistry MIXED
Molecular Formula C116H224O4
Molecular Weight 1683.0174
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DITETRACONTANYL DIMER DILINOLEATE

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CC1C(CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C=CC(CCCCCC)C1CCCCCC

InChI

InChIKey=AOXSMPVDCTTWBW-JYWQULIMSA-N
InChI=1S/C116H224O4/c1-5-9-13-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-84-91-99-109-119-115(117)105-97-89-83-81-82-88-96-104-114-112(108-107-111(101-93-15-11-7-3)113(114)103-95-16-12-8-4)102-94-87-86-90-98-106-116(118)120-110-100-92-85-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-14-10-6-2/h96,104,107-108,111-114H,5-95,97-103,105-106,109-110H2,1-4H3/b104-96+

HIDE SMILES / InChI

Molecular Formula C116H224O4
Molecular Weight 1683.0174
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
MKL9M12VCW
Record Status Validated (UNII)
Record Version