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18-butanoyl-17,18-bis(oxidanyl)hentetracontane-16,20-dione

18-butanoyl-17,18-bis(oxidanyl)hentetracontane-16,20-dione

Systemtic Name:18-butanoyl-17,18-bis(oxidanyl)hentetracontane-16,20-dione
Openeye Name:18-butanoyl-17,18-dihydroxy-hentetracontane-16,20-dione
CAS Name:17,18-dihydroxy-18-(1-oxobutyl)hentetracontane-16,20-dione
IUPAC Name:18-butanoyl-17,18-dihydroxyhentetracontane-16,20-dione
Traditional Name:18-butyryl-17,18-dihydroxy-hentetracontane-16,20-dione
Formula: C45H86O5
MolecularWeight: 707.16134
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCCCCCCCCCCCCCC)O)(C(=O)CCC)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCCCCCCCCCCCCCC)O)(C(=O)CCC)O


InChI

InChI=1S/C45H86O5/c1-4-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-38-41(46)40-45(50,43(48)37-6-3)44(49)42(47)39-36-34-32-30-28-25-18-16-14-12-10-8-5-2/h44,49-50H,4-40H2,1-3H3


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