(3aS,4S,7E,7aS)-7-hexan-2-ylidene-4-methyl-4,7a-dihydro-3aH-2-benzofuran-1,3-dione

Systemtic Name: (3aS,4S,7E,7aS)-7-hexan-2-ylidene-4-methyl-4,7a-dihydro-3aH-2-benzofuran-1,3-dione Openeye Name: (3aS,4S,7E,7aS)-4-methyl-7-(1-methylpentylidene)-4,7a-dihydro-3aH-isobenzofuran-1,3-dione CAS Name: (3aS,4S,7E,7aS)-7-hexan-2-ylidene-4-methyl-4,7a-dihydro-3aH-isobenzofuran-1,3-dione IUPAC Name: (3aS,4S,7E,7aS)-7-hexan-2-ylidene-4-methyl-4,7a-dihydro-3aH-2-benzofuran-1,3-dione Traditional Name: (3aS,4S,7E,7aS)-4-methyl-7-(1-methylpentylidene)-4,7a-dihydro-3aH-isobenzofuran-1,3-quinone Formula: C15H20O3 MolecularWeight: 248.3175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C1C=CC(C2C1C(=O)OC2=O)C)C

Isomeric SMILES

CCCC/C(=C/1\C=C[C@@H]([C@H]2[C@@H]1C(=O)OC2=O)C)/C

InChI

InChI=1S/C15H20O3/c1-4-5-6-9(2)11-8-7-10(3)12-13(11)15(17)18-14(12)16/h7-8,10,12-13H,4-6H2,1-3H3/b11-9+/t10-,12-,13+/m0/s1