3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; pentan-1-ol

Systemtic Name: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; pentan-1-ol Openeye Name: 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione; pentan-1-ol CAS Name: 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione; 1-pentanol IUPAC Name: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; pentan-1-ol Traditional Name: 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-quinone; pentan-1-ol Formula: C13H22O4 MolecularWeight: 242.31138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCO.C1CCC2C(C1)C(=O)OC2=O

Isomeric SMILES

CCCCCO.C1CCC2C(C1)C(=O)OC2=O

InChI

InChI=1S/C8H10O3.C5H12O/c9-7-5-3-1-2-4-6(5)8(10)11-7;1-2-3-4-5-6/h5-6H,1-4H2;6H,2-5H2,1H3