20-butanoyl-19-oxidanyl-18,22-bis(oxidanylidene)hentetracontan-20-olate

Systemtic Name: 20-butanoyl-19-oxidanyl-18,22-bis(oxidanylidene)hentetracontan-20-olate Openeye Name: 20-butanoyl-19-hydroxy-18,22-dioxo-hentetracontan-20-olate CAS Name: 19-hydroxy-18,22-dioxo-20-(1-oxobutyl)-20-hentetracontanolate IUPAC Name: 20-butanoyl-19-hydroxy-18,22-dioxohentetracontan-20-olate Traditional Name: 20-butyryl-19-hydroxy-18,22-diketo-hentetracontan-20-olate Formula: C45H85O5- MolecularWeight: 706.1534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCCCCCCCCCCCCCCCC)O)(C(=O)CCC)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCCCCCCCCCCCCCCCC)O)(C(=O)CCC)[O-]

InChI

InChI=1S/C45H85O5/c1-4-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-38-41(46)40-45(50,43(48)37-6-3)44(49)42(47)39-36-34-32-30-28-26-23-20-18-16-14-12-10-8-5-2/h44,49H,4-40H2,1-3H3/q-1