3-methyl-5-octadecanoyl-6,7-bis(oxidanyl)pentacosane-2,4,8-trione

Systemtic Name: 3-methyl-5-octadecanoyl-6,7-bis(oxidanyl)pentacosane-2,4,8-trione Openeye Name: 6,7-dihydroxy-3-methyl-5-octadecanoyl-pentacosane-2,4,8-trione CAS Name: 6,7-dihydroxy-3-methyl-5-(1-oxooctadecyl)pentacosane-2,4,8-trione IUPAC Name: 6,7-dihydroxy-3-methyl-5-octadecanoylpentacosane-2,4,8-trione Traditional Name: 6,7-dihydroxy-3-methyl-5-stearoyl-pentacosane-2,4,8-trione Formula: C44H82O6 MolecularWeight: 707.11828

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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/C44H82O6/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/h37,41,43-44,49-50H,5-36H2,1-4H3