(3R,4S,4aR)-3-methyl-1,4-bis(oxidanyl)-3,4,4a,5-tetrahydroisochromen-8-one

Systemtic Name: (3R,4S,4aR)-3-methyl-1,4-bis(oxidanyl)-3,4,4a,5-tetrahydroisochromen-8-one Openeye Name: (3R,4S,4aR)-1,4-dihydroxy-3-methyl-3,4,4a,5-tetrahydroisochromen-8-one CAS Name: (3R,4S,4aR)-1,4-dihydroxy-3-methyl-3,4,4a,5-tetrahydro-2-benzopyran-8-one IUPAC Name: (3R,4S,4aR)-1,4-dihydroxy-3-methyl-3,4,4a,5-tetrahydroisochromen-8-one Traditional Name: (3R,4S,4aR)-1,4-dihydroxy-3-methyl-3,4,4a,5-tetrahydroisochromen-8-one Formula: C10H12O4 MolecularWeight: 196.19988

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CC=CC(=O)C2=C(O1)O)O

Isomeric SMILES

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

InChI

InChI=1S/C10H12O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h2,4-6,9,12-13H,3H2,1H3/t5-,6-,9-/m1/s1