(3aS,4R,5R,7aS)-3a,5-dimethyl-3-oxidanylidene-1,4,5,7a-tetrahydro-2-benzofuran-4-carboxylic acid

Systemtic Name: (3aS,4R,5R,7aS)-3a,5-dimethyl-3-oxidanylidene-1,4,5,7a-tetrahydro-2-benzofuran-4-carboxylic acid Openeye Name: (3aS,4R,5R,7aS)-3a,5-dimethyl-3-oxo-1,4,5,7a-tetrahydroisobenzofuran-4-carboxylic acid CAS Name: (3aS,4R,5R,7aS)-3a,5-dimethyl-3-oxo-1,4,5,7a-tetrahydroisobenzofuran-4-carboxylic acid IUPAC Name: (3aS,4R,5R,7aS)-3a,5-dimethyl-3-oxo-1,4,5,7a-tetrahydro-2-benzofuran-4-carboxylic acid Traditional Name: (3aS,4R,5R,7aS)-3-keto-3a,5-dimethyl-1,4,5,7a-tetrahydroisobenzofuran-4-carboxylic acid Formula: C11H14O4 MolecularWeight: 210.22646

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC2COC(=O)C2(C1C(=O)O)C

Isomeric SMILES

C[C@@H]1C=C[C@@H]2COC(=O)[C@@]2([C@@H]1C(=O)O)C

InChI

InChI=1S/C11H14O4/c1-6-3-4-7-5-15-10(14)11(7,2)8(6)9(12)13/h3-4,6-8H,5H2,1-2H3,(H,12,13)/t6-,7-,8+,11+/m1/s1