22-butanoyl-21,22-bis(oxidanyl)tritetracontane-20,24-dione

Systemtic Name: 22-butanoyl-21,22-bis(oxidanyl)tritetracontane-20,24-dione Openeye Name: 22-butanoyl-21,22-dihydroxy-tritetracontane-20,24-dione CAS Name: 21,22-dihydroxy-22-(1-oxobutyl)tritetracontane-20,24-dione IUPAC Name: 22-butanoyl-21,22-dihydroxytritetracontane-20,24-dione Traditional Name: 22-butyryl-21,22-dihydroxy-tritetracontane-20,24-dione Formula: C47H90O5 MolecularWeight: 735.2145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCCCCCCCCCCCCCCCCCC)O)(C(=O)CCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCCCCCCCCCCCCCCCCCC)O)(C(=O)CCC)O

InChI

InChI=1S/C47H90O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40-43(48)42-47(52,45(50)39-6-3)46(51)44(49)41-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h46,51-52H,4-42H2,1-3H3