Products 135821-74-8

CAS 135821-74-8 is the registry number for Anti-Dechlorane plus. Offered by: TRC. Available pack sizes: 25mg, 50mg, 5mg.

Structural formula: {0} (CAS {1})

(1S,2S,5S,6S,9R,10R,13R,14R)-1,6,7,8,9,14,15,16,17,17,18,18-dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene (CAS 135821-74-8) is a chemical compound with the molecular formula C18H12Cl12 and a molecular weight of 653.7 g/mol. IUPAC name: (1S,2S,5S,6S,9R,10R,13R,14R)-1,6,7,8,9,14,15,16,17,17,18,18-dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene. InChIKey: UGQQAJOWXNCOPY-VBCJEVMVSA-N.

Identity
Molecular formulaC18H12Cl12
Molecular weight653.7 g/mol
IUPAC name(1S,2S,5S,6S,9R,10R,13R,14R)-1,6,7,8,9,14,15,16,17,17,18,18-dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
InChIKeyUGQQAJOWXNCOPY-VBCJEVMVSA-N
SMILESC1C[C@@H]2[C@H](CC[C@H]3[C@@H]1[C@]4(C(=C([C@@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl)[C@@]5(C(=C([C@]2(C5(Cl)Cl)Cl)Cl)Cl)Cl

Computed by PubChem (NCBI)