Products 4605-91-8

CAS 4605-91-8 appears in our catalog under these names: 2-Methylnaphthalene-bis(hexachlorocyclopentadiene) adduct, 95%, 2-Methylnaphthalene-bis(HexachlorocyclopentadienE)adduct, 95%. Offered by: Combi-blocks, AmBeed. Available pack sizes: 25g, 100g, 1g, 5g.

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

(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 (CAS 4605-91-8) is a chemical compound with the molecular formula C21H10Cl12 and a molecular weight of 687.7 g/mol. 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. InChIKey: IBGAOSYQYASNKV-OCXRYMHXSA-N.

Identity
Molecular formulaC21H10Cl12
Molecular weight687.7 g/mol
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
InChIKeyIBGAOSYQYASNKV-OCXRYMHXSA-N
SMILESCC1=CC2=C(C=C1)C3C(C4C2[C@@]5(C(=C([C@]4(C5(Cl)Cl)Cl)Cl)Cl)Cl)[C@@]6(C(=C([C@]3(C6(Cl)Cl)Cl)Cl)Cl)Cl

Computed by PubChem (NCBI)

Synonyms: C21H10Cl12