5-[(2,5-dimethylphenyl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(2,5-dimethylphenyl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(2,5-dimethylphenyl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(2,5-dimethylphenyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2,5-dimethylphenyl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(2,5-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)C)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC2=CC=C(O2)C(=O)O

InChI

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