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

Systemtic Name: 2-[2-[4-(4-bromophenyl)phenyl]thian-2-yl]ethanoic acid Openeye Name: 2-[2-[4-(4-bromophenyl)phenyl]tetrahydrothiopyran-2-yl]acetic acid CAS Name: 2-[2-[4-(4-bromophenyl)phenyl]-2-thianyl]acetic acid IUPAC Name: 2-[2-[4-(4-bromophenyl)phenyl]thian-2-yl]acetic acid Traditional Name: 2-[2-[4-(4-bromophenyl)phenyl]tetrahydrothiopyran-2-yl]acetic acid Formula: C19H19BrO2S MolecularWeight: 391.32196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrO2S/c20-17-9-5-15(6-10-17)14-3-7-16(8-4-14)19(13-18(21)22)11-1-2-12-23-19/h3-10H,1-2,11-13H2,(H,21,22)