dimethyl 2-(3-hexyl-2-oxidanylidene-cyclopent-3-en-1-yl)propanedioate

Systemtic Name: dimethyl 2-(3-hexyl-2-oxidanylidene-cyclopent-3-en-1-yl)propanedioate Openeye Name: dimethyl 2-(3-hexyl-2-oxo-cyclopent-3-en-1-yl)propanedioate CAS Name: 2-(3-hexyl-2-oxo-1-cyclopent-3-enyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(3-hexyl-2-oxocyclopent-3-en-1-yl)propanedioate Traditional Name: 2-(3-hexyl-2-keto-cyclopent-3-en-1-yl)malonic acid dimethyl ester Formula: C16H24O5 MolecularWeight: 296.35876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CCC(C1=O)C(C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCCCC1=CCC(C1=O)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H24O5/c1-4-5-6-7-8-11-9-10-12(14(11)17)13(15(18)20-2)16(19)21-3/h9,12-13H,4-8,10H2,1-3H3