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

Systemtic Name: 1,2,3,4,5-pentakis(bromanyl)-6-[2,3,4-tris(bromanyl)phenyl]benzene hydrate Openeye Name: 1,2,3,4,5-pentabromo-6-(2,3,4-tribromophenyl)benzene hydrate CAS Name: 1,2,3,4,5-pentabromo-6-(2,3,4-tribromophenyl)benzene hydrate IUPAC Name: 1,2,3,4,5-pentabromo-6-(2,3,4-tribromophenyl)benzene hydrate Traditional Name: 1,2,3,4,5-pentabromo-6-(2,3,4-tribromophenyl)benzene hydrate Formula: C24H6Br16O MolecularWeight: 1588.76784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br)Br)Br.C1=CC(=C(C(=C1C2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br)Br)Br.O

Isomeric SMILES

C1=CC(=C(C(=C1C2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br)Br)Br.C1=CC(=C(C(=C1C2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br)Br)Br.O

InChI

InChI=1S/2C12H2Br8.H2O/c2*13-4-2-1-3(6(14)7(4)15)5-8(16)10(18)12(20)11(19)9(5)17;/h2*1-2H;1H2