6-butanoyl-5,6-bis(oxidanyl)heptacosane-4,8-dione

Systemtic Name: 6-butanoyl-5,6-bis(oxidanyl)heptacosane-4,8-dione Openeye Name: 6-butanoyl-5,6-dihydroxy-heptacosane-4,8-dione CAS Name: 5,6-dihydroxy-6-(1-oxobutyl)heptacosane-4,8-dione IUPAC Name: 6-butanoyl-5,6-dihydroxyheptacosane-4,8-dione Traditional Name: 6-butyryl-5,6-dihydroxy-heptacosane-4,8-dione Formula: C31H58O5 MolecularWeight: 510.78922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCC)O)(C(=O)CCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCC)O)(C(=O)CCC)O

InChI

InChI=1S/C31H58O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-27(32)26-31(36,29(34)24-6-3)30(35)28(33)23-5-2/h30,35-36H,4-26H2,1-3H3