3-[(2,4-dimethylphenyl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 3-[(2,4-dimethylphenyl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 3-[(2,4-dimethylphenyl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 3-[[(2,4-dimethylphenyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 3-[(2,4-dimethylphenyl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 3-[[(2,4-dimethylphenyl)thio]methyl]-2-furoic acid Formula: C14H14O3S MolecularWeight: 262.32416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=C(OC=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=C(OC=C2)C(=O)O)C

InChI

InChI=1S/C14H14O3S/c1-9-3-4-12(10(2)7-9)18-8-11-5-6-17-13(11)14(15)16/h3-7H,8H2,1-2H3,(H,15,16)