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

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

Systemtic Name:methyl 4-docosanoyloxy-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate
Openeye Name:methyl 4-docosanoyloxy-6,6-dimethyl-2-oxo-cyclohex-3-ene-1-carboxylate
CAS Name:6,6-dimethyl-2-oxo-4-(1-oxodocosoxy)-1-cyclohex-3-enecarboxylic acid methyl ester
IUPAC Name:methyl 4-docosanoyloxy-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
Traditional Name:4-docosanoyloxy-2-keto-6,6-dimethyl-cyclohex-3-ene-1-carboxylic acid methyl ester
Formula: C32H56O5
MolecularWeight: 520.78404
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC1=CC(=O)C(C(C1)(C)C)C(=O)OC


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC1=CC(=O)C(C(C1)(C)C)C(=O)OC


InChI

InChI=1S/C32H56O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(34)37-27-25-28(33)30(31(35)36-4)32(2,3)26-27/h25,30H,5-24,26H2,1-4H3


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