5-(tert-butylsulfanylmethyl)furan-2-carboxylate

Systemtic Name: 5-(tert-butylsulfanylmethyl)furan-2-carboxylate Openeye Name: 5-(tert-butylsulfanylmethyl)furan-2-carboxylate CAS Name: 5-[(tert-butylthio)methyl]-2-furancarboxylate IUPAC Name: 5-(tert-butylsulfanylmethyl)furan-2-carboxylate Traditional Name: 5-[(tert-butylthio)methyl]-2-furoate Formula: C10H13O3S- MolecularWeight: 213.27342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=CC=C(O1)C(=O)[O-]

Isomeric SMILES

CC(C)(C)SCC1=CC=C(O1)C(=O)[O-]

InChI

InChI=1S/C10H14O3S/c1-10(2,3)14-6-7-4-5-8(13-7)9(11)12/h4-5H,6H2,1-3H3,(H,11,12)/p-1