4-[(2-carboxyphenyl)sulfanylmethyl]-5-methyl-furan-2-carboxylic acid

Systemtic Name: 4-[(2-carboxyphenyl)sulfanylmethyl]-5-methyl-furan-2-carboxylic acid Openeye Name: 4-[(2-carboxyphenyl)sulfanylmethyl]-5-methyl-furan-2-carboxylic acid CAS Name: 4-[[(2-carboxyphenyl)thio]methyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-[(2-carboxyphenyl)sulfanylmethyl]-5-methylfuran-2-carboxylic acid Traditional Name: 4-[[(2-carboxyphenyl)thio]methyl]-5-methyl-2-furoic acid Formula: C14H12O5S MolecularWeight: 292.30708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)C(=O)O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H12O5S/c1-8-9(6-11(19-8)14(17)18)7-20-12-5-3-2-4-10(12)13(15)16/h2-6H,7H2,1H3,(H,15,16)(H,17,18)