1,2,3,4,5-pentakis(bromanyl)-6-phenyl-benzene hydrate

Systemtic Name: 1,2,3,4,5-pentakis(bromanyl)-6-phenyl-benzene hydrate Openeye Name: 1,2,3,4,5-pentabromo-6-phenyl-benzene hydrate CAS Name: 1,2,3,4,5-pentabromo-6-phenylbenzene hydrate IUPAC Name: 1,2,3,4,5-pentabromo-6-phenylbenzene hydrate Traditional Name: 1,2,3,4,5-pentabromo-6-phenyl-benzene hydrate Formula: C12H7Br5O MolecularWeight: 566.70338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br.O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br.O

InChI

InChI=1S/C12H5Br5.H2O/c13-8-7(6-4-2-1-3-5-6)9(14)11(16)12(17)10(8)15;/h1-5H;1H2