(3aR,4S,7aS)-7a-methyl-3-oxidanylidene-1,3a,4,5-tetrahydro-2-benzofuran-4-carboxylic acid

Systemtic Name: (3aR,4S,7aS)-7a-methyl-3-oxidanylidene-1,3a,4,5-tetrahydro-2-benzofuran-4-carboxylic acid Openeye Name: (3aR,4S,7aS)-7a-methyl-3-oxo-1,3a,4,5-tetrahydroisobenzofuran-4-carboxylic acid CAS Name: (3aR,4S,7aS)-7a-methyl-3-oxo-1,3a,4,5-tetrahydroisobenzofuran-4-carboxylic acid IUPAC Name: (3aR,4S,7aS)-7a-methyl-3-oxo-1,3a,4,5-tetrahydro-2-benzofuran-4-carboxylic acid Traditional Name: (3aR,4S,7aS)-3-keto-7a-methyl-1,3a,4,5-tetrahydroisobenzofuran-4-carboxylic acid Formula: C10H12O4 MolecularWeight: 196.19988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12COC(=O)C1C(CC=C2)C(=O)O

Isomeric SMILES

C[C@@]12COC(=O)[C@@H]1[C@H](CC=C2)C(=O)O

InChI

InChI=1S/C10H12O4/c1-10-4-2-3-6(8(11)12)7(10)9(13)14-5-10/h2,4,6-7H,3,5H2,1H3,(H,11,12)/t6-,7-,10+/m0/s1