[4-(phenylmethyl)sulfonylphenyl]methyl 4-bromanylbenzoate

Systemtic Name: [4-(phenylmethyl)sulfonylphenyl]methyl 4-bromanylbenzoate Openeye Name: (4-benzylsulfonylphenyl)methyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-(phenylmethyl)sulfonylphenyl]methyl ester IUPAC Name: (4-benzylsulfonylphenyl)methyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (4-benzylsulfonylbenzyl) ester Formula: C21H17BrO4S MolecularWeight: 445.32628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C=C2)COC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C=C2)COC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H17BrO4S/c22-19-10-8-18(9-11-19)21(23)26-14-16-6-12-20(13-7-16)27(24,25)15-17-4-2-1-3-5-17/h1-13H,14-15H2