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

Systemtic Name: 4-(butan-2-ylsulfanylmethyl)-5-methyl-furan-2-carboxylic acid Openeye Name: 5-methyl-4-(sec-butylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 4-[(butan-2-ylthio)methyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-(butan-2-ylsulfanylmethyl)-5-methylfuran-2-carboxylic acid Traditional Name: 5-methyl-4-[(sec-butylthio)methyl]-2-furoic acid Formula: C11H16O3S MolecularWeight: 228.30794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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