26-oxidanyl-24,27-bis(oxidanylidene)-25-(2-oxidanylidenepropyl)pentacontan-25-olate

Systemtic Name: 26-oxidanyl-24,27-bis(oxidanylidene)-25-(2-oxidanylidenepropyl)pentacontan-25-olate Openeye Name: 25-acetonyl-26-hydroxy-24,27-dioxo-pentacontan-25-olate CAS Name: 26-hydroxy-24,27-dioxo-25-(2-oxopropyl)-25-pentacontanolate IUPAC Name: 26-hydroxy-24,27-dioxo-25-(2-oxopropyl)pentacontan-25-olate Traditional Name: 25-acetonyl-26-hydroxy-24,27-diketo-pentacontan-25-olate Formula: C53H101O5- MolecularWeight: 818.36604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC(=O)C(C(CC(=O)C)(C(=O)CCCCCCCCCCCCCCCCCCCCCCC)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)C(C(CC(=O)C)(C(=O)CCCCCCCCCCCCCCCCCCCCCCC)[O-])O

InChI

InChI=1S/C53H101O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-50(55)52(57)53(58,48-49(3)54)51(56)47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h52,57H,4-48H2,1-3H3/q-1