methyl 3-docosanoyl-6,6-dimethyl-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl 3-docosanoyl-6,6-dimethyl-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: methyl 3-docosanoyl-2-hydroxy-6,6-dimethyl-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: 2-hydroxy-6,6-dimethyl-4-oxo-3-(1-oxodocosyl)-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl 3-docosanoyl-2-hydroxy-6,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: 3-docosanoyl-2-hydroxy-4-keto-6,6-dimethyl-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C32H56O5 MolecularWeight: 520.78404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)C1=C(C(C(CC1=O)(C)C)C(=O)OC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)C1=C(C(C(CC1=O)(C)C)C(=O)OC)O

InChI

InChI=1S/C32H56O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(33)28-27(34)25-32(2,3)29(30(28)35)31(36)37-4/h29,35H,5-25H2,1-4H3