3-methyl-4-phenethyl-furan-2,5-dione

Systemtic Name: 3-methyl-4-phenethyl-furan-2,5-dione Openeye Name: 3-methyl-4-phenethyl-furan-2,5-dione CAS Name: 3-methyl-4-phenethylfuran-2,5-dione IUPAC Name: 3-methyl-4-phenethylfuran-2,5-dione Traditional Name: 3-methyl-4-phenethyl-furan-2,5-quinone Formula: C13H12O3 MolecularWeight: 216.23258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC1=O)CCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)OC1=O)CCC2=CC=CC=C2

InChI

InChI=1S/C13H12O3/c1-9-11(13(15)16-12(9)14)8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3