5-[(4-bromophenyl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid

Systemtic Name: 5-[(4-bromophenyl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid Openeye Name: 5-[(4-bromophenyl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid CAS Name: 5-[[(4-bromophenyl)thio]methyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-[(4-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid Traditional Name: 5-[[(4-bromophenyl)thio]methyl]-2-methyl-3-furoic acid Formula: C13H11BrO3S MolecularWeight: 327.19364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CSC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C13H11BrO3S/c1-8-12(13(15)16)6-10(17-8)7-18-11-4-2-9(14)3-5-11/h2-6H,7H2,1H3,(H,15,16)