20-butanoyl-19-oxidanyl-18,22-bis(oxidanylidene)tritetracontan-20-olate

Systemtic Name: 20-butanoyl-19-oxidanyl-18,22-bis(oxidanylidene)tritetracontan-20-olate Openeye Name: 20-butanoyl-19-hydroxy-18,22-dioxo-tritetracontan-20-olate CAS Name: 19-hydroxy-18,22-dioxo-20-(1-oxobutyl)-20-tritetracontanolate IUPAC Name: 20-butanoyl-19-hydroxy-18,22-dioxotritetracontan-20-olate Traditional Name: 20-butyryl-19-hydroxy-18,22-diketo-tritetracontan-20-olate Formula: C47H89O5- MolecularWeight: 734.20656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCCCCCCCCCCCCCCCC)O)(C(=O)CCC)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCCCCCCCCCCCCCCCC)O)(C(=O)CCC)[O-]

InChI

InChI=1S/C47H89O5/c1-4-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-40-43(48)42-47(52,45(50)39-6-3)46(51)44(49)41-38-36-34-32-30-28-25-20-18-16-14-12-10-8-5-2/h46,51H,4-42H2,1-3H3/q-1