3-[(3-bromophenyl)methylsulfonyl]-4-chloranyl-benzoic acid

Systemtic Name: 3-[(3-bromophenyl)methylsulfonyl]-4-chloranyl-benzoic acid Openeye Name: 3-[(3-bromophenyl)methylsulfonyl]-4-chloro-benzoic acid CAS Name: 3-[(3-bromophenyl)methylsulfonyl]-4-chlorobenzoic acid IUPAC Name: 3-[(3-bromophenyl)methylsulfonyl]-4-chlorobenzoic acid Traditional Name: 3-(3-bromobenzyl)sulfonyl-4-chloro-benzoic acid Formula: C14H10BrClO4S MolecularWeight: 389.6488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC(=C1)Br)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C14H10BrClO4S/c15-11-3-1-2-9(6-11)8-21(19,20)13-7-10(14(17)18)4-5-12(13)16/h1-7H,8H2,(H,17,18)