20,23-bis(oxidanylidene)-21-(1-oxidanyl-2-oxidanylidene-butyl)dotetracontan-21-olate

Systemtic Name: 20,23-bis(oxidanylidene)-21-(1-oxidanyl-2-oxidanylidene-butyl)dotetracontan-21-olate Openeye Name: 21-(1-hydroxy-2-oxo-butyl)-20,23-dioxo-dotetracontan-21-olate CAS Name: 21-(1-hydroxy-2-oxobutyl)-20,23-dioxo-21-dotetracontanolate IUPAC Name: 21-(1-hydroxy-2-oxobutyl)-20,23-dioxodotetracontan-21-olate Traditional Name: 21-(1-hydroxy-2-keto-butyl)-20,23-diketo-dotetracontan-21-olate Formula: C46H87O5- MolecularWeight: 720.17998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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