methyl hexanoate; 3-oxidanylidene-1H-2-benzofuran-4-carboxylic acid

Systemtic Name: methyl hexanoate; 3-oxidanylidene-1H-2-benzofuran-4-carboxylic acid Openeye Name: methyl hexanoate; 3-oxo-1H-isobenzofuran-4-carboxylic acid CAS Name: hexanoic acid methyl ester; 3-oxo-1H-isobenzofuran-4-carboxylic acid IUPAC Name: methyl hexanoate; 3-oxo-1H-2-benzofuran-4-carboxylic acid Traditional Name: hexanoic acid methyl ester; 3-ketophthalan-4-carboxylic acid Formula: C16H20O6 MolecularWeight: 308.3264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC.C1C2=CC=CC(=C2C(=O)O1)C(=O)O

Isomeric SMILES

CCCCCC(=O)OC.C1C2=CC=CC(=C2C(=O)O1)C(=O)O

InChI

InChI=1S/C9H6O4.C7H14O2/c10-8(11)6-3-1-2-5-4-13-9(12)7(5)6;1-3-4-5-6-7(8)9-2/h1-3H,4H2,(H,10,11);3-6H2,1-2H3