2-methyl-5-(oxolan-2-ylmethylsulfanylmethyl)furan-3-carboxylic acid

Systemtic Name: 2-methyl-5-(oxolan-2-ylmethylsulfanylmethyl)furan-3-carboxylic acid Openeye Name: 2-methyl-5-(tetrahydrofuran-2-ylmethylsulfanylmethyl)furan-3-carboxylic acid CAS Name: 2-methyl-5-[(2-oxolanylmethylthio)methyl]-3-furancarboxylic acid IUPAC Name: 2-methyl-5-(oxolan-2-ylmethylsulfanylmethyl)furan-3-carboxylic acid Traditional Name: 2-methyl-5-[(tetrahydrofurfurylthio)methyl]-3-furoic acid Formula: C12H16O4S MolecularWeight: 256.31804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSCC2CCCO2)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CSCC2CCCO2)C(=O)O

InChI

InChI=1S/C12H16O4S/c1-8-11(12(13)14)5-10(16-8)7-17-6-9-3-2-4-15-9/h5,9H,2-4,6-7H2,1H3,(H,13,14)