9-methyl-20-(3-methyl-2-oxidanylidene-butyl)-19,20-bis(oxidanyl)octatriacontane-18,21-dione

Systemtic Name: 9-methyl-20-(3-methyl-2-oxidanylidene-butyl)-19,20-bis(oxidanyl)octatriacontane-18,21-dione Openeye Name: 19,20-dihydroxy-9-methyl-20-(3-methyl-2-oxo-butyl)octatriacontane-18,21-dione CAS Name: 19,20-dihydroxy-9-methyl-20-(3-methyl-2-oxobutyl)octatriacontane-18,21-dione IUPAC Name: 19,20-dihydroxy-9-methyl-20-(3-methyl-2-oxobutyl)octatriacontane-18,21-dione Traditional Name: 19,20-dihydroxy-20-(2-keto-3-methyl-butyl)-9-methyl-octatriacontane-18,21-dione Formula: C44H84O5 MolecularWeight: 693.13476

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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/C44H84O5/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/h38-39,43,48-49H,6-37H2,1-5H3