30-methyl-19-(3-methyl-2-oxidanylidene-butyl)-20-oxidanyl-18,21-bis(oxidanylidene)octatriacontan-19-olate

Systemtic Name: 30-methyl-19-(3-methyl-2-oxidanylidene-butyl)-20-oxidanyl-18,21-bis(oxidanylidene)octatriacontan-19-olate Openeye Name: 20-hydroxy-30-methyl-19-(3-methyl-2-oxo-butyl)-18,21-dioxo-octatriacontan-19-olate CAS Name: 20-hydroxy-30-methyl-19-(3-methyl-2-oxobutyl)-18,21-dioxo-19-octatriacontanolate IUPAC Name: 20-hydroxy-30-methyl-19-(3-methyl-2-oxobutyl)-18,21-dioxooctatriacontan-19-olate Traditional Name: 20-hydroxy-18,21-diketo-19-(2-keto-3-methyl-butyl)-30-methyl-octatriacontan-19-olate Formula: C44H83O5- MolecularWeight: 692.12682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CC(=O)C(C)C)(C(C(=O)CCCCCCCCC(C)CCCCCCCC)O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CC(=O)C(C)C)(C(C(=O)CCCCCCCCC(C)CCCCCCCC)O)[O-]

InChI

InChI=1S/C44H83O5/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-28-32-36-42(47)44(49,37-41(46)38(3)4)43(48)40(45)35-31-27-24-23-26-30-34-39(5)33-29-25-13-11-9-7-2/h38-39,43,48H,6-37H2,1-5H3/q-1