2-[3-bromanyl-5-(4-tert-butylphenyl)sulfanyl-phenyl]oxan-4-ol

Systemtic Name: 2-[3-bromanyl-5-(4-tert-butylphenyl)sulfanyl-phenyl]oxan-4-ol Openeye Name: 2-[3-bromo-5-(4-tert-butylphenyl)sulfanyl-phenyl]tetrahydropyran-4-ol CAS Name: 2-[3-bromo-5-[(4-tert-butylphenyl)thio]phenyl]-4-oxanol IUPAC Name: 2-[3-bromo-5-(4-tert-butylphenyl)sulfanylphenyl]oxan-4-ol Traditional Name: 2-[3-bromo-5-[(4-tert-butylphenyl)thio]phenyl]tetrahydropyran-4-ol Formula: C21H25BrO2S MolecularWeight: 421.391

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=CC(=CC(=C2)C3CC(CCO3)O)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=CC(=CC(=C2)C3CC(CCO3)O)Br

InChI

InChI=1S/C21H25BrO2S/c1-21(2,3)15-4-6-18(7-5-15)25-19-11-14(10-16(22)12-19)20-13-17(23)8-9-24-20/h4-7,10-12,17,20,23H,8-9,13H2,1-3H3