5-ethyl-4-(hydroxymethyl)-3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one

Systemtic Name: 5-ethyl-4-(hydroxymethyl)-3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one Openeye Name: 5-ethyl-4-(hydroxymethyl)-3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-1-one CAS Name: 5-ethyl-4-(hydroxymethyl)-3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-1-one IUPAC Name: 5-ethyl-4-(hydroxymethyl)-3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one Traditional Name: 5-ethyl-3,6-dimethyl-4-methylol-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-1-one Formula: C13H22O3 MolecularWeight: 226.31198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CC2C(C1CO)C(OC2=O)C)C

Isomeric SMILES

CCC1C(CC2C(C1CO)C(OC2=O)C)C

InChI

InChI=1S/C13H22O3/c1-4-9-7(2)5-10-12(11(9)6-14)8(3)16-13(10)15/h7-12,14H,4-6H2,1-3H3