5-[(3,4-dimethylphenyl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[(3,4-dimethylphenyl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(3,4-dimethylphenyl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(3,4-dimethylphenyl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(3,4-dimethylphenyl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(3,4-dimethylphenyl)thio]methyl]-2-furoate Formula: C14H13O3S- MolecularWeight: 261.31622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC2=CC=C(O2)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC2=CC=C(O2)C(=O)[O-])C

InChI

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