5-butanoyl-4-oxidanyl-3,7-bis(oxidanylidene)octacosan-5-olate

Systemtic Name: 5-butanoyl-4-oxidanyl-3,7-bis(oxidanylidene)octacosan-5-olate Openeye Name: 5-butanoyl-4-hydroxy-3,7-dioxo-octacosan-5-olate CAS Name: 4-hydroxy-3,7-dioxo-5-(1-oxobutyl)-5-octacosanolate IUPAC Name: 5-butanoyl-4-hydroxy-3,7-dioxooctacosan-5-olate Traditional Name: 5-butyryl-4-hydroxy-3,7-diketo-octacosan-5-olate Formula: C32H59O5- MolecularWeight: 523.80786

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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/C32H59O5/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/h31,36H,4-27H2,1-3H3/q-1