4-[(2-carboxyphenyl)sulfanylmethyl]-2,5-dimethyl-furan-3-carboxylic acid

Systemtic Name: 4-[(2-carboxyphenyl)sulfanylmethyl]-2,5-dimethyl-furan-3-carboxylic acid Openeye Name: 4-[(2-carboxyphenyl)sulfanylmethyl]-2,5-dimethyl-furan-3-carboxylic acid CAS Name: 4-[[(2-carboxyphenyl)thio]methyl]-2,5-dimethyl-3-furancarboxylic acid IUPAC Name: 4-[(2-carboxyphenyl)sulfanylmethyl]-2,5-dimethylfuran-3-carboxylic acid Traditional Name: 4-[[(2-carboxyphenyl)thio]methyl]-2,5-dimethyl-3-furoic acid Formula: C15H14O5S MolecularWeight: 306.33366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14O5S/c1-8-11(13(15(18)19)9(2)20-8)7-21-12-6-4-3-5-10(12)14(16)17/h3-6H,7H2,1-2H3,(H,16,17)(H,18,19)