20-oxidanyl-18,21-bis(oxidanylidene)-19-(2-oxidanylidenepropyl)tetracontan-19-olate

Systemtic Name: 20-oxidanyl-18,21-bis(oxidanylidene)-19-(2-oxidanylidenepropyl)tetracontan-19-olate Openeye Name: 19-acetonyl-20-hydroxy-18,21-dioxo-tetracontan-19-olate CAS Name: 20-hydroxy-18,21-dioxo-19-(2-oxopropyl)-19-tetracontanolate IUPAC Name: 20-hydroxy-18,21-dioxo-19-(2-oxopropyl)tetracontan-19-olate Traditional Name: 19-acetonyl-20-hydroxy-18,21-diketo-tetracontan-19-olate Formula: C43H81O5- MolecularWeight: 678.10024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)C(C(CC(=O)C)(C(=O)CCCCCCCCCCCCCCCCC)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)C(C(CC(=O)C)(C(=O)CCCCCCCCCCCCCCCCC)[O-])O

InChI

InChI=1S/C43H81O5/c1-4-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-36-40(45)42(47)43(48,38-39(3)44)41(46)37-35-33-31-29-27-25-22-19-17-15-13-11-9-7-5-2/h42,47H,4-38H2,1-3H3/q-1