3-methyl-4-[(E)-oct-1-enyl]furan-2,5-dione

Systemtic Name: 3-methyl-4-[(E)-oct-1-enyl]furan-2,5-dione Openeye Name: 3-methyl-4-[(E)-oct-1-enyl]furan-2,5-dione CAS Name: 3-methyl-4-[(E)-oct-1-enyl]furan-2,5-dione IUPAC Name: 3-methyl-4-[(E)-oct-1-enyl]furan-2,5-dione Traditional Name: 3-methyl-4-[(E)-oct-1-enyl]furan-2,5-quinone Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC1=C(C(=O)OC1=O)C

Isomeric SMILES

CCCCCC/C=C/C1=C(C(=O)OC1=O)C

InChI

InChI=1S/C13H18O3/c1-3-4-5-6-7-8-9-11-10(2)12(14)16-13(11)15/h8-9H,3-7H2,1-2H3/b9-8+