2-(4-bromanylphenoxy)-4-(2-methylphenyl)sulfanyl-butanoic acid

Systemtic Name: 2-(4-bromanylphenoxy)-4-(2-methylphenyl)sulfanyl-butanoic acid Openeye Name: 2-(4-bromophenoxy)-4-(o-tolylsulfanyl)butanoic acid CAS Name: 2-(4-bromophenoxy)-4-[(2-methylphenyl)thio]butanoic acid IUPAC Name: 2-(4-bromophenoxy)-4-(2-methylphenyl)sulfanylbutanoic acid Traditional Name: 2-(4-bromophenoxy)-4-(o-tolylthio)butyric acid Formula: C17H17BrO3S MolecularWeight: 381.28408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCCC(C(=O)O)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=CC=C1SCCC(C(=O)O)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H17BrO3S/c1-12-4-2-3-5-16(12)22-11-10-15(17(19)20)21-14-8-6-13(18)7-9-14/h2-9,15H,10-11H2,1H3,(H,19,20)