2-[(3-bromophenyl)methylsulfonyl]benzoate

Systemtic Name: 2-[(3-bromophenyl)methylsulfonyl]benzoate Openeye Name: 2-[(3-bromophenyl)methylsulfonyl]benzoate CAS Name: 2-[(3-bromophenyl)methylsulfonyl]benzoate IUPAC Name: 2-[(3-bromophenyl)methylsulfonyl]benzoate Traditional Name: 2-(3-bromobenzyl)sulfonylbenzoate Formula: C14H10BrO4S- MolecularWeight: 354.1958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])S(=O)(=O)CC2=CC(=CC=C2)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])S(=O)(=O)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C14H11BrO4S/c15-11-5-3-4-10(8-11)9-20(18,19)13-7-2-1-6-12(13)14(16)17/h1-8H,9H2,(H,16,17)/p-1