2-[(3-methoxyphenyl)sulfanylmethyl]furan-3-carboxylic acid

Systemtic Name: 2-[(3-methoxyphenyl)sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 2-[(3-methoxyphenyl)sulfanylmethyl]furan-3-carboxylic acid CAS Name: 2-[[(3-methoxyphenyl)thio]methyl]-3-furancarboxylic acid IUPAC Name: 2-[(3-methoxyphenyl)sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 2-[[(3-methoxyphenyl)thio]methyl]-3-furoic acid Formula: C13H12O4S MolecularWeight: 264.29698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SCC2=C(C=CO2)C(=O)O

Isomeric SMILES

COC1=CC(=CC=C1)SCC2=C(C=CO2)C(=O)O

InChI

InChI=1S/C13H12O4S/c1-16-9-3-2-4-10(7-9)18-8-12-11(13(14)15)5-6-17-12/h2-7H,8H2,1H3,(H,14,15)