17-butanoyl-19-oxidanyl-16,20-bis(oxidanylidene)heptatriacontan-18-olate

Systemtic Name: 17-butanoyl-19-oxidanyl-16,20-bis(oxidanylidene)heptatriacontan-18-olate Openeye Name: 17-butanoyl-19-hydroxy-16,20-dioxo-heptatriacontan-18-olate CAS Name: 19-hydroxy-16,20-dioxo-17-(1-oxobutyl)-18-heptatriacontanolate IUPAC Name: 17-butanoyl-19-hydroxy-16,20-dioxoheptatriacontan-18-olate Traditional Name: 17-butyryl-19-hydroxy-16,20-diketo-heptatriacontan-18-olate Formula: C41H77O5- MolecularWeight: 650.04708

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/C41H77O5/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/h39-41,45H,4-35H2,1-3H3/q-1