5-(butan-2-ylsulfanylmethyl)-2-methyl-furan-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC1=CC(=C(O1)C)C(=O)O

Isomeric SMILES

CCC(C)SCC1=CC(=C(O1)C)C(=O)O

InChI

InChI=1S/C11H16O3S/c1-4-7(2)15-6-9-5-10(11(12)13)8(3)14-9/h5,7H,4,6H2,1-3H3,(H,12,13)