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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC1=C(C=CO1)C(=O)O

Isomeric SMILES

CCC(C)SCC1=C(C=CO1)C(=O)O

InChI

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