5-dodecyl-21-methyl-1-oxidanyl-4-oxidanylidene-docosan-2-olate

Systemtic Name: 5-dodecyl-21-methyl-1-oxidanyl-4-oxidanylidene-docosan-2-olate Openeye Name: 5-dodecyl-1-hydroxy-21-methyl-4-oxo-docosan-2-olate CAS Name: 5-dodecyl-1-hydroxy-21-methyl-4-oxo-2-docosanolate IUPAC Name: 5-dodecyl-1-hydroxy-21-methyl-4-oxodocosan-2-olate Traditional Name: 1-hydroxy-4-keto-5-lauryl-21-methyl-docosan-2-olate Formula: C35H69O3- MolecularWeight: 537.92056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(C)C)C(=O)CC(CO)[O-]

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(C)C)C(=O)CC(CO)[O-]

InChI

InChI=1S/C35H69O3/c1-4-5-6-7-8-9-16-19-22-25-28-33(35(38)30-34(37)31-36)29-26-23-20-17-14-12-10-11-13-15-18-21-24-27-32(2)3/h32-34,36H,4-31H2,1-3H3/q-1