(3S,3aS,7aR)-3-(hydroxymethyl)-6-methyl-3,3a,7,7a-tetrahydro-1H-2-benzofuran-4-one

Systemtic Name: (3S,3aS,7aR)-3-(hydroxymethyl)-6-methyl-3,3a,7,7a-tetrahydro-1H-2-benzofuran-4-one Openeye Name: (3S,3aS,7aR)-3-(hydroxymethyl)-6-methyl-3,3a,7,7a-tetrahydro-1H-isobenzofuran-4-one CAS Name: (3S,3aS,7aR)-3-(hydroxymethyl)-6-methyl-3,3a,7,7a-tetrahydro-1H-isobenzofuran-4-one IUPAC Name: (3S,3aS,7aR)-3-(hydroxymethyl)-6-methyl-3,3a,7,7a-tetrahydro-1H-2-benzofuran-4-one Traditional Name: (3S,3aS,7aR)-6-methyl-3-methylol-3,3a,7,7a-tetrahydro-1H-isobenzofuran-4-one Formula: C10H14O3 MolecularWeight: 182.21636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2C(C1)COC2CO

Isomeric SMILES

CC1=CC(=O)[C@H]2[C@@H](C1)CO[C@@H]2CO

InChI

InChI=1S/C10H14O3/c1-6-2-7-5-13-9(4-11)10(7)8(12)3-6/h3,7,9-11H,2,4-5H2,1H3/t7-,9+,10+/m0/s1