5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-(o-tolylmethylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 5-[[(2-methylphenyl)methylthio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(2-methylbenzyl)thio]methyl]-2-furoic acid Formula: C14H14O3S MolecularWeight: 262.32416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CSCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C14H14O3S/c1-10-4-2-3-5-11(10)8-18-9-12-6-7-13(17-12)14(15)16/h2-7H,8-9H2,1H3,(H,15,16)