5-methyl-4-(phenylsulfanylmethyl)furan-2-carboxylic acid

Systemtic Name: 5-methyl-4-(phenylsulfanylmethyl)furan-2-carboxylic acid Openeye Name: 5-methyl-4-(phenylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 5-methyl-4-[(phenylthio)methyl]-2-furancarboxylic acid IUPAC Name: 5-methyl-4-(phenylsulfanylmethyl)furan-2-carboxylic acid Traditional Name: 5-methyl-4-[(phenylthio)methyl]-2-furoic acid Formula: C13H12O3S MolecularWeight: 248.29758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)O)CSC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(O1)C(=O)O)CSC2=CC=CC=C2

InChI

InChI=1S/C13H12O3S/c1-9-10(7-12(16-9)13(14)15)8-17-11-5-3-2-4-6-11/h2-7H,8H2,1H3,(H,14,15)