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

Systemtic Name: 5-butanoyl-4-oxidanyl-3,7-bis(oxidanylidene)hexacosan-5-olate Openeye Name: 5-butanoyl-4-hydroxy-3,7-dioxo-hexacosan-5-olate CAS Name: 4-hydroxy-3,7-dioxo-5-(1-oxobutyl)-5-hexacosanolate IUPAC Name: 5-butanoyl-4-hydroxy-3,7-dioxohexacosan-5-olate Traditional Name: 5-butyryl-4-hydroxy-3,7-diketo-hexacosan-5-olate Formula: C30H55O5- MolecularWeight: 495.7547

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H55O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26(31)25-30(35,28(33)23-5-2)29(34)27(32)6-3/h29,34H,4-25H2,1-3H3/q-1