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

Systemtic Name: (3aS,4S,7E,7aS)-4-methyl-7-pentylidene-4,7a-dihydro-3aH-2-benzofuran-1,3-dione Openeye Name: (3aS,4S,7E,7aS)-4-methyl-7-pentylidene-4,7a-dihydro-3aH-isobenzofuran-1,3-dione CAS Name: (3aS,4S,7E,7aS)-4-methyl-7-pentylidene-4,7a-dihydro-3aH-isobenzofuran-1,3-dione IUPAC Name: (3aS,4S,7E,7aS)-4-methyl-7-pentylidene-4,7a-dihydro-3aH-2-benzofuran-1,3-dione Traditional Name: (3aS,4S,7E,7aS)-4-methyl-7-pentylidene-4,7a-dihydro-3aH-isobenzofuran-1,3-quinone Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3/c1-3-4-5-6-10-8-7-9(2)11-12(10)14(16)17-13(11)15/h6-9,11-12H,3-5H2,1-2H3/b10-6+/t9-,11-,12+/m0/s1