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

Systemtic Name: 5-(furan-2-ylmethylsulfanylmethyl)-2-methyl-furan-3-carboxylic acid Openeye Name: 5-(2-furylmethylsulfanylmethyl)-2-methyl-furan-3-carboxylic acid CAS Name: 5-[(2-furanylmethylthio)methyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-(furan-2-ylmethylsulfanylmethyl)-2-methylfuran-3-carboxylic acid Traditional Name: 5-[(2-furfurylthio)methyl]-2-methyl-3-furoic acid Formula: C12H12O4S MolecularWeight: 252.28628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSCC2=CC=CO2)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CSCC2=CC=CO2)C(=O)O

InChI

InChI=1S/C12H12O4S/c1-8-11(12(13)14)5-10(16-8)7-17-6-9-3-2-4-15-9/h2-5H,6-7H2,1H3,(H,13,14)