Catalog Number:
AG00DEO7
Chemical Name:
2-Methylnaphthalene-bis(hexachlorocyclopentadiene) adduct
CAS Number:
4605-91-8
Molecular Formula:
C21H10Cl12
Molecular Weight:
687.7401
MDL Number:
MFCD00167974
IUPAC Name:
(1S,4R,7S,16R)-1,4,5,6,7,16,17,18,19,19,20,20-dodecachloro-11-methylhexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9(14),10,12,17-pentaene
InChI:
InChI=1S/C21H10Cl12/c1-5-2-3-6-7(4-5)9-11(19(29)15(25)13(23)17(9,27)21(19,32)33)10-8(6)16(26)12(22)14(24)18(10,28)20(16,30)31/h2-4,8-11H,1H3/t8?,9?,10?,11?,16-,17+,18+,19-/m1/s1
InChI Key:
IBGAOSYQYASNKV-OCXRYMHXSA-N
SMILES:
Cc1ccc2c(c1)C1C(C3C2[C@@]2(Cl)C(=C([C@@]3(C2(Cl)Cl)Cl)Cl)Cl)[C@@]2(C([C@@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl
EC Number:
225-009-9
