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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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