CAS No. 155773-70-9

Chemical Identifiers

Linear Formula C80H88N8NiO8
Pubchem CID 16133043
MDL Number MFCD00192345
EC No. N/A
IUPAC Name (26Z,38Z,51Z)-3,10 ,16,23,29,36,42,49-octabutoxy- 13,26,39,52,53,55,56,57- octaaza-54-nickelatetradecacyclo [25.25.3.1^{14,25}.1^{40,51}. 0^{2,11}.0^{4,9}.0^{12,53}.0^ {15,24}.0^{17,22}.0^{28,37}. 0^{30,35}.0^{38,55}.0^{41,50} .0^{43,48}]heptapentaconta-1
SMILES CCCCOc1c%14c(c(OCCCC)c2ccccc12)C=%12/N=C%14/N=C5\N6[Ni]n%13c(\N=C7/N=C(/N=C6/c4c(OCCCC)c3ccccc3c(OCCCC)c45)c9c7c(OCCCC)c8ccccc8c9OCCCC)c%11c(c(OCCCC)c%10ccccc%10c%11OCCCC)c%13N=%12
InchI Identifier 1S/C80H88N8O8.Ni/c1-9-17-41-89-65-49-33-25-26-34-50(49)66(90-42-18-10-2)58-57(65)73-81-74(58)86-76-61-62(70(94-46-22-14-6)54-38-30-29-37-53(54)69(61)93-45-21-13-5)78(83-76)88-80-64-63(71(95-47-23-15-7)55-39-31-32-40-56(55)72(64)96-48-24-16-8)79(84-80)87-7
InchI Key ZRFVVSDVYUSJMJ-UHFFFAOYSA-N

Health & Safety Information

Signal Word Danger
Hazard Statements H334
Hazard Codes T
Risk Codes 49-43
Safety Statements 53-36/37/39-45
RTECS Number N/A
Transport Information N/A
WGK Germany 3