5-methyl-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC2COC(=O)C2C1C(=O)O

Isomeric SMILES

CC1C=CC2COC(=O)C2C1C(=O)O

InChI

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