7-[4-[tris(bromanyl)methylsulfonyl]phenyl]-1,2-oxazepane-6-carboxylic acid

Systemtic Name: 7-[4-[tris(bromanyl)methylsulfonyl]phenyl]-1,2-oxazepane-6-carboxylic acid Openeye Name: 7-[4-(tribromomethylsulfonyl)phenyl]oxazepane-6-carboxylic acid CAS Name: 7-[4-(tribromomethylsulfonyl)phenyl]-6-oxazepanecarboxylic acid IUPAC Name: 7-[4-(tribromomethylsulfonyl)phenyl]oxazepane-6-carboxylic acid Traditional Name: 7-[4-(tribromomethylsulfonyl)phenyl]oxazepane-6-carboxylic acid Formula: C13H14Br3NO5S MolecularWeight: 536.03096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(ONC1)C2=CC=C(C=C2)S(=O)(=O)C(Br)(Br)Br)C(=O)O

Isomeric SMILES

C1CC(C(ONC1)C2=CC=C(C=C2)S(=O)(=O)C(Br)(Br)Br)C(=O)O

InChI

InChI=1S/C13H14Br3NO5S/c14-13(15,16)23(20,21)9-5-3-8(4-6-9)11-10(12(18)19)2-1-7-17-22-11/h3-6,10-11,17H,1-2,7H2,(H,18,19)