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

Systemtic Name: 5-[(2-bromophenyl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid Openeye Name: 5-[(2-bromophenyl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid CAS Name: 5-[[(2-bromophenyl)thio]methyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-[(2-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid Traditional Name: 5-[[(2-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=CC=C2Br)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CSC2=CC=CC=C2Br)C(=O)O

InChI

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