18,21-bis(oxidanylidene)-19-(1-oxidanyl-2-oxidanylidene-butyl)dotetracontan-19-olate

Systemtic Name: 18,21-bis(oxidanylidene)-19-(1-oxidanyl-2-oxidanylidene-butyl)dotetracontan-19-olate Openeye Name: 19-(1-hydroxy-2-oxo-butyl)-18,21-dioxo-dotetracontan-19-olate CAS Name: 19-(1-hydroxy-2-oxobutyl)-18,21-dioxo-19-dotetracontanolate IUPAC Name: 19-(1-hydroxy-2-oxobutyl)-18,21-dioxodotetracontan-19-olate Traditional Name: 19-(1-hydroxy-2-keto-butyl)-18,21-diketo-dotetracontan-19-olate Formula: C46H87O5- MolecularWeight: 720.17998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CC)O)(C(=O)CCCCCCCCCCCCCCCCC)[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(51,45(50)43(48)6-3)44(49)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