3-hexyl-4-prop-2-enyl-furan-2,5-dione

Systemtic Name: 3-hexyl-4-prop-2-enyl-furan-2,5-dione Openeye Name: 3-allyl-4-hexyl-furan-2,5-dione CAS Name: 3-hexyl-4-prop-2-enylfuran-2,5-dione IUPAC Name: 3-hexyl-4-prop-2-enylfuran-2,5-dione Traditional Name: 3-allyl-4-hexyl-furan-2,5-quinone Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=O)OC1=O)CC=C

Isomeric SMILES

CCCCCCC1=C(C(=O)OC1=O)CC=C

InChI

InChI=1S/C13H18O3/c1-3-5-6-7-9-11-10(8-4-2)12(14)16-13(11)15/h4H,2-3,5-9H2,1H3