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

Systemtic Name: 2-methyl-5-(phenylsulfanylmethyl)furan-3-carboxylic acid Openeye Name: 2-methyl-5-(phenylsulfanylmethyl)furan-3-carboxylic acid CAS Name: 2-methyl-5-[(phenylthio)methyl]-3-furancarboxylic acid IUPAC Name: 2-methyl-5-(phenylsulfanylmethyl)furan-3-carboxylic acid Traditional Name: 2-methyl-5-[(phenylthio)methyl]-3-furoic acid Formula: C13H12O3S MolecularWeight: 248.29758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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