3-(tert-butylsulfanylmethyl)furan-2-carboxylic acid

Systemtic Name: 3-(tert-butylsulfanylmethyl)furan-2-carboxylic acid Openeye Name: 3-(tert-butylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 3-[(tert-butylthio)methyl]-2-furancarboxylic acid IUPAC Name: 3-(tert-butylsulfanylmethyl)furan-2-carboxylic acid Traditional Name: 3-[(tert-butylthio)methyl]-2-furoic acid Formula: C10H14O3S MolecularWeight: 214.28136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=C(OC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)SCC1=C(OC=C1)C(=O)O

InChI

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