5-butanoyl-4,5-bis(oxidanyl)octacosane-3,7-dione

Systemtic Name: 5-butanoyl-4,5-bis(oxidanyl)octacosane-3,7-dione Openeye Name: 5-butanoyl-4,5-dihydroxy-octacosane-3,7-dione CAS Name: 4,5-dihydroxy-5-(1-oxobutyl)octacosane-3,7-dione IUPAC Name: 5-butanoyl-4,5-dihydroxyoctacosane-3,7-dione Traditional Name: 5-butyryl-4,5-dihydroxy-octacosane-3,7-dione Formula: C32H60O5 MolecularWeight: 524.8158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CC)O)(C(=O)CCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CC)O)(C(=O)CCC)O

InChI

InChI=1S/C32H60O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28(33)27-32(37,30(35)25-5-2)31(36)29(34)6-3/h31,36-37H,4-27H2,1-3H3