(3S,4aR)-3-ethyl-1-oxidanyl-3,4,4a,5,6,7-hexahydroisochromen-8-one

Systemtic Name: (3S,4aR)-3-ethyl-1-oxidanyl-3,4,4a,5,6,7-hexahydroisochromen-8-one Openeye Name: (3S,4aR)-3-ethyl-1-hydroxy-3,4,4a,5,6,7-hexahydroisochromen-8-one CAS Name: (3S,4aR)-3-ethyl-1-hydroxy-3,4,4a,5,6,7-hexahydro-2-benzopyran-8-one IUPAC Name: (3S,4aR)-3-ethyl-1-hydroxy-3,4,4a,5,6,7-hexahydroisochromen-8-one Traditional Name: (3S,4aR)-3-ethyl-1-hydroxy-3,4,4a,5,6,7-hexahydroisochromen-8-one Formula: C11H16O3 MolecularWeight: 196.24294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2CCCC(=O)C2=C(O1)O

Isomeric SMILES

CC[C@H]1C[C@H]2CCCC(=O)C2=C(O1)O

InChI

InChI=1S/C11H16O3/c1-2-8-6-7-4-3-5-9(12)10(7)11(13)14-8/h7-8,13H,2-6H2,1H3/t7-,8+/m1/s1