4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyloxane-4-carboxylic acid

Systemtic Name: 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyloxane-4-carboxylic acid Openeye Name: 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyltetrahydropyran-4-carboxylic acid CAS Name: 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyl-4-oxanecarboxylic acid IUPAC Name: 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyloxane-4-carboxylic acid Traditional Name: 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyltetrahydropyran-4-carboxylic acid Formula: C21H23BrO6S MolecularWeight: 483.37272

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCCC3=CC(=CC=C3)Br

Isomeric SMILES

C1COCCC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCCC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H23BrO6S/c22-17-5-1-3-16(15-17)4-2-12-28-18-6-8-19(9-7-18)29(25,26)21(20(23)24)10-13-27-14-11-21/h1,3,5-9,15H,2,4,10-14H2,(H,23,24)