17-butanoyl-18,19-bis(oxidanyl)heptatriacontane-16,20-dione

Systemtic Name: 17-butanoyl-18,19-bis(oxidanyl)heptatriacontane-16,20-dione Openeye Name: 17-butanoyl-18,19-dihydroxy-heptatriacontane-16,20-dione CAS Name: 18,19-dihydroxy-17-(1-oxobutyl)heptatriacontane-16,20-dione IUPAC Name: 17-butanoyl-18,19-dihydroxyheptatriacontane-16,20-dione Traditional Name: 17-butyryl-18,19-dihydroxy-heptatriacontane-16,20-dione Formula: C41H78O5 MolecularWeight: 651.05502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C(C(C(=O)CCC)C(=O)CCCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C(C(C(=O)CCC)C(=O)CCCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C41H78O5/c1-4-7-9-11-13-15-17-19-20-22-24-26-28-30-32-35-38(44)40(45)41(46)39(36(42)33-6-3)37(43)34-31-29-27-25-23-21-18-16-14-12-10-8-5-2/h39-41,45-46H,4-35H2,1-3H3