7a-[(E)-but-1-enyl]-3a-methyl-4,5-dihydro-2-benzofuran-1,3-dione

Systemtic Name: 7a-[(E)-but-1-enyl]-3a-methyl-4,5-dihydro-2-benzofuran-1,3-dione Openeye Name: 7a-[(E)-but-1-enyl]-3a-methyl-4,5-dihydroisobenzofuran-1,3-dione CAS Name: 7a-[(E)-but-1-enyl]-3a-methyl-4,5-dihydroisobenzofuran-1,3-dione IUPAC Name: 7a-[(E)-but-1-enyl]-3a-methyl-4,5-dihydro-2-benzofuran-1,3-dione Traditional Name: 7a-[(E)-but-1-enyl]-3a-methyl-4,5-dihydroisobenzofuran-1,3-quinone Formula: C13H16O3 MolecularWeight: 220.26434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CC12C=CCCC1(C(=O)OC2=O)C

Isomeric SMILES

CC/C=C/C12C=CCCC1(C(=O)OC2=O)C

InChI

InChI=1S/C13H16O3/c1-3-4-8-13-9-6-5-7-12(13,2)10(14)16-11(13)15/h4,6,8-9H,3,5,7H2,1-2H3/b8-4+