6-butanoyl-5-oxidanyl-4,8-bis(oxidanylidene)nonacosan-6-olate

Systemtic Name: 6-butanoyl-5-oxidanyl-4,8-bis(oxidanylidene)nonacosan-6-olate Openeye Name: 6-butanoyl-5-hydroxy-4,8-dioxo-nonacosan-6-olate CAS Name: 5-hydroxy-4,8-dioxo-6-(1-oxobutyl)-6-nonacosanolate IUPAC Name: 6-butanoyl-5-hydroxy-4,8-dioxononacosan-6-olate Traditional Name: 6-butyryl-5-hydroxy-4,8-diketo-nonacosan-6-olate Formula: C33H61O5- MolecularWeight: 537.83444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCC)O)(C(=O)CCC)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCC)O)(C(=O)CCC)[O-]

InChI

InChI=1S/C33H61O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-29(34)28-33(38,31(36)26-6-3)32(37)30(35)25-5-2/h32,37H,4-28H2,1-3H3/q-1