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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=CC2C1C(=O)OC2)C(=O)O

Isomeric SMILES

C[C@]1(CC=C[C@@H]2[C@H]1C(=O)OC2)C(=O)O

InChI

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