tert-butyl 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyloxane-4-carboxylate

Systemtic Name: tert-butyl 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyloxane-4-carboxylate Openeye Name: tert-butyl 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyltetrahydropyran-4-carboxylate CAS Name: 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyl-4-oxanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyloxane-4-carboxylate Traditional Name: 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyltetrahydropyran-4-carboxylic acid tert-butyl ester Formula: C25H31BrO6S MolecularWeight: 539.47904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCOCC1)S(=O)(=O)C2=CC=C(C=C2)OCCCC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCOCC1)S(=O)(=O)C2=CC=C(C=C2)OCCCC3=CC(=CC=C3)Br

InChI

InChI=1S/C25H31BrO6S/c1-24(2,3)32-23(27)25(13-16-30-17-14-25)33(28,29)22-11-9-21(10-12-22)31-15-5-7-19-6-4-8-20(26)18-19/h4,6,8-12,18H,5,7,13-17H2,1-3H3