5-tert-butyl-4-(hydroxymethyl)-2-methyl-furan-3-carboxylate

Systemtic Name: 5-tert-butyl-4-(hydroxymethyl)-2-methyl-furan-3-carboxylate Openeye Name: 5-tert-butyl-4-(hydroxymethyl)-2-methyl-furan-3-carboxylate CAS Name: 5-tert-butyl-4-(hydroxymethyl)-2-methyl-3-furancarboxylate IUPAC Name: 5-tert-butyl-4-(hydroxymethyl)-2-methylfuran-3-carboxylate Traditional Name: 5-tert-butyl-2-methyl-4-methylol-3-furoate Formula: C11H15O4- MolecularWeight: 211.2344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)C(C)(C)C)CO)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(O1)C(C)(C)C)CO)C(=O)[O-]

InChI

InChI=1S/C11H16O4/c1-6-8(10(13)14)7(5-12)9(15-6)11(2,3)4/h12H,5H2,1-4H3,(H,13,14)/p-1