19-(2-methyl-3-oxidanylidene-butanoyl)-21-oxidanyl-18,22-bis(oxidanylidene)nonatriacontan-20-olate

Systemtic Name: 19-(2-methyl-3-oxidanylidene-butanoyl)-21-oxidanyl-18,22-bis(oxidanylidene)nonatriacontan-20-olate Openeye Name: 19-hydroxy-21-(2-methyl-3-oxo-butanoyl)-18,22-dioxo-nonatriacontan-20-olate CAS Name: 19-hydroxy-21-(2-methyl-1,3-dioxobutyl)-18,22-dioxo-20-nonatriacontanolate IUPAC Name: 19-hydroxy-21-(2-methyl-3-oxobutanoyl)-18,22-dioxononatriacontan-20-olate Traditional Name: 19-hydroxy-18,22-diketo-21-(3-keto-2-methyl-butanoyl)nonatriacontan-20-olate Formula: C44H81O6- MolecularWeight: 706.11034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C(C(C(=O)CCCCCCCCCCCCCCCCC)O)[O-])C(=O)C(C)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C(C(C(=O)CCCCCCCCCCCCCCCCC)O)[O-])C(=O)C(C)C(=O)C

InChI

InChI=1S/C44H81O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(46)41(42(48)37(3)38(4)45)44(50)43(49)40(47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37,41,43-44,49H,5-36H2,1-4H3/q-1