19-oxidanyl-18,21-bis(oxidanylidene)-20-(2-oxidanylidenebutyl)dotetracontan-20-olate

Systemtic Name: 19-oxidanyl-18,21-bis(oxidanylidene)-20-(2-oxidanylidenebutyl)dotetracontan-20-olate Openeye Name: 19-hydroxy-18,21-dioxo-20-(2-oxobutyl)dotetracontan-20-olate CAS Name: 19-hydroxy-18,21-dioxo-20-(2-oxobutyl)-20-dotetracontanolate IUPAC Name: 19-hydroxy-18,21-dioxo-20-(2-oxobutyl)dotetracontan-20-olate Traditional Name: 19-hydroxy-18,21-diketo-20-(2-ketobutyl)dotetracontan-20-olate Formula: C46H87O5- MolecularWeight: 720.17998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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