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

Systemtic Name: 5-(tert-butylsulfanylmethyl)-2-methyl-furan-3-carboxylic acid Openeye Name: 5-(tert-butylsulfanylmethyl)-2-methyl-furan-3-carboxylic acid CAS Name: 5-[(tert-butylthio)methyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-(tert-butylsulfanylmethyl)-2-methylfuran-3-carboxylic acid Traditional Name: 5-[(tert-butylthio)methyl]-2-methyl-3-furoic acid Formula: C11H16O3S MolecularWeight: 228.30794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CSC(C)(C)C)C(=O)O

InChI

InChI=1S/C11H16O3S/c1-7-9(10(12)13)5-8(14-7)6-15-11(2,3)4/h5H,6H2,1-4H3,(H,12,13)