2-methyl-5-(2-methylpropylsulfanylmethyl)furan-3-carboxylic acid

Systemtic Name: 2-methyl-5-(2-methylpropylsulfanylmethyl)furan-3-carboxylic acid Openeye Name: 5-(isobutylsulfanylmethyl)-2-methyl-furan-3-carboxylic acid CAS Name: 2-methyl-5-[(2-methylpropylthio)methyl]-3-furancarboxylic acid IUPAC Name: 2-methyl-5-(2-methylpropylsulfanylmethyl)furan-3-carboxylic acid Traditional Name: 5-[(isobutylthio)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)CSCC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CSCC(C)C)C(=O)O

InChI

InChI=1S/C11H16O3S/c1-7(2)5-15-6-9-4-10(11(12)13)8(3)14-9/h4,7H,5-6H2,1-3H3,(H,12,13)