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

Systemtic Name: 4-[3-bromanyl-5-(4-tert-butylphenyl)sulfanyl-phenyl]oxan-4-ol Openeye Name: 4-[3-bromo-5-(4-tert-butylphenyl)sulfanyl-phenyl]tetrahydropyran-4-ol CAS Name: 4-[3-bromo-5-[(4-tert-butylphenyl)thio]phenyl]-4-oxanol IUPAC Name: 4-[3-bromo-5-(4-tert-butylphenyl)sulfanylphenyl]oxan-4-ol Traditional Name: 4-[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)C3(CCOCC3)O)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=CC(=CC(=C2)C3(CCOCC3)O)Br

InChI

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