5,6-bis(oxidanyl)-5-(2-oxidanylidenepropyl)octacosane-4,7-dione

Systemtic Name: 5,6-bis(oxidanyl)-5-(2-oxidanylidenepropyl)octacosane-4,7-dione Openeye Name: 5-acetonyl-5,6-dihydroxy-octacosane-4,7-dione CAS Name: 5,6-dihydroxy-5-(2-oxopropyl)octacosane-4,7-dione IUPAC Name: 5,6-dihydroxy-5-(2-oxopropyl)octacosane-4,7-dione Traditional Name: 5-acetonyl-5,6-dihydroxy-octacosane-4,7-dione Formula: C31H58O5 MolecularWeight: 510.78922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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