3-[4-[tris(bromanyl)methylsulfonyl]phenoxy]sulfinylbenzoic acid

Systemtic Name: 3-[4-[tris(bromanyl)methylsulfonyl]phenoxy]sulfinylbenzoic acid Openeye Name: 3-[4-(tribromomethylsulfonyl)phenoxy]sulfinylbenzoic acid CAS Name: 3-[4-(tribromomethylsulfonyl)phenoxy]sulfinylbenzoic acid IUPAC Name: 3-[4-(tribromomethylsulfonyl)phenoxy]sulfinylbenzoic acid Traditional Name: 3-[4-(tribromomethylsulfonyl)phenoxy]sulfinylbenzoic acid Formula: C14H9Br3O6S2 MolecularWeight: 577.05966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)OC2=CC=C(C=C2)S(=O)(=O)C(Br)(Br)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)OC2=CC=C(C=C2)S(=O)(=O)C(Br)(Br)Br)C(=O)O

InChI

InChI=1S/C14H9Br3O6S2/c15-14(16,17)25(21,22)12-6-4-10(5-7-12)23-24(20)11-3-1-2-9(8-11)13(18)19/h1-8H,(H,18,19)