还原黑29

CAS号
6049-19-0
CCD编号
CCD02010667
分子式
C64 H34 N4 O8
分子量
986.993

基本信息

产品名称: 还原黑29
CAS: 6049-19-0
中文同义词: 还原黑29
英文同义词: VAT BLACK 29 ; CI VAT BLACK 29
MDL号: MFCD13195563
氢键受体数量: 12
氢键供体数量: 4
Smile: c1ccc(cc1)C(=O)Nc2ccc(c3c2C(=O)c4ccccc4C3=O)Nc5cc6c-7c8c5cccc8c(=O)c9c7c1c(cccc1c6=O)c(c9)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1
InChi: InChI=1S/C64H34N4O8/c69-57-40-24-12-22-38-48(66-44-26-28-46(68-64(76)32-15-5-2-6-16-32)56-54(44)60(72)34-18-8-10-20-36(34)62(56)74)30-42-52(50(38)40)51-41(57)29-47(37-21-11-23-39(49(37)51)58(42)70)65-43-25-27-45(67-63(75)31-13-3-1-4-14-31)55-53(43)59(71)33-17-7-9-19-35(33)61(55)73/h1-30,65-66H,(H,67,75)(H,68,76)
InChiKey: InChIKey=OOBLPEMDRSTPAM-UHFFFAOYSA-N

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