5-tert-butyl-2-methyl-furan-3-carboxylate

Systemtic Name: 5-tert-butyl-2-methyl-furan-3-carboxylate Openeye Name: 5-tert-butyl-2-methyl-furan-3-carboxylate CAS Name: 5-tert-butyl-2-methyl-3-furancarboxylate IUPAC Name: 5-tert-butyl-2-methylfuran-3-carboxylate Traditional Name: 5-tert-butyl-2-methyl-3-furoate Formula: C10H13O3- MolecularWeight: 181.20842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O3/c1-6-7(9(11)12)5-8(13-6)10(2,3)4/h5H,1-4H3,(H,11,12)/p-1