4-(3-bromanyl-5-prop-2-enoxy-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-(3-bromanyl-5-prop-2-enoxy-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-(3-allyloxy-5-bromo-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-(3-bromo-5-prop-2-enoxyphenyl)sulfonyl-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-(3-bromo-5-prop-2-enoxyphenyl)sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-(3-allyloxy-5-bromo-phenyl)sulfonyl-5-(methylthio)-2-thenoic acid Formula: C15H13BrO5S3 MolecularWeight: 449.35972

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=CC(=C2)OCC=C)Br

Isomeric SMILES

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=CC(=C2)OCC=C)Br

InChI

InChI=1S/C15H13BrO5S3/c1-3-4-21-10-5-9(16)6-11(7-10)24(19,20)13-8-12(14(17)18)23-15(13)22-2/h3,5-8H,1,4H2,2H3,(H,17,18)