2-[2-[4-(4-bromanylphenoxy)phenyl]thian-2-yl]ethanoic acid

Systemtic Name: 2-[2-[4-(4-bromanylphenoxy)phenyl]thian-2-yl]ethanoic acid Openeye Name: 2-[2-[4-(4-bromophenoxy)phenyl]tetrahydrothiopyran-2-yl]acetic acid CAS Name: 2-[2-[4-(4-bromophenoxy)phenyl]-2-thianyl]acetic acid IUPAC Name: 2-[2-[4-(4-bromophenoxy)phenyl]thian-2-yl]acetic acid Traditional Name: 2-[2-[4-(4-bromophenoxy)phenyl]tetrahydrothiopyran-2-yl]acetic acid Formula: C19H19BrO3S MolecularWeight: 407.32136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCSC(C1)(CC(=O)O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCSC(C1)(CC(=O)O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H19BrO3S/c20-15-5-9-17(10-6-15)23-16-7-3-14(4-8-16)19(13-18(21)22)11-1-2-12-24-19/h3-10H,1-2,11-13H2,(H,21,22)