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

Systemtic Name: 19-oxidanyl-18,22-bis(oxidanylidene)-20-propanoyl-tritetracontan-20-olate Openeye Name: 19-hydroxy-18,22-dioxo-20-propanoyl-tritetracontan-20-olate CAS Name: 19-hydroxy-18,22-dioxo-20-(1-oxopropyl)-20-tritetracontanolate IUPAC Name: 19-hydroxy-18,22-dioxo-20-propanoyltritetracontan-20-olate Traditional Name: 19-hydroxy-18,22-diketo-20-propionyl-tritetracontan-20-olate Formula: C46H87O5- MolecularWeight: 720.17998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H87O5/c1-4-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-42(47)41-46(51,44(49)6-3)45(50)43(48)40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-5-2/h45,50H,4-41H2,1-3H3/q-1