2-[(蒽-9-基羰基)氧代]-N,N,N-三甲基乙铵

pro_cas
83137-16-0
pro_cdbregno
CCD08276094
pro_formula
C46 H24 Cl2 N14 O18 S4 . 6 Na
pro_molWeight
1397.89

basic_info

Product_Name: 2-[(蒽-9-基羰基)氧代]-N,N,N-三甲基乙铵
CAS: 83137-16-0
中文同义词: 2-[(蒽-9-基羰基)氧代]-N,N,N-三甲基乙铵
EnglishSynonyms: HEXASODIUM P,P'-[M-PHENYLENEBIS[IMINO(6-CHLORO-1,3,5-TRIAZINE-2,4-DIYL)IMINO(8-HYDROXY-3,6-DISULPHONATO-1,7-NAPHTHYLENE)AZO]]DIBENZOATE
pro_mdlNumber: MFCD23160593
pro_acceptors: 32
pro_donors: 6
pro_smile: c1cc(cc(c1)Nc2nc(nc(n2)Cl)Nc3cc(cc4c3c(c(c(c4)S(=O)(=O)[O-])/N=N/c5ccc(cc5)C(=O)[O-])O)S(=O)(=O)[O-])Nc6nc(nc(n6)Cl)Nc7cc(cc8c7c(c(c(c8)S(=O)(=O)[O-])/N=N/c9ccc(cc9)C(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChi: InChI=1S/C46H30Cl2N14O18S4.6Na/c47-41-53-43(57-45(55-41)51-29-17-27(81(69,70)71)12-21-14-31(83(75,76)77)35(37(63)33(21)29)61-59-23-8-4-19(5-9-23)39(65)66)49-25-2-1-3-26(16-25)50-44-54-42(48)56-46(58-44)52-30-18-28(82(72,73)74)13-22-15-32(84(78,79)80)36(38(64)34(22)30)62-60-24-10-6-20(7-11-24)40(67)68;;;;;;/h1-18,63-64H,(H,65,66)(H,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,49,51,53,55,57)(H2,50,52,54,56,58);;;;;;/q;6*+1/p-6/b61-59+,62-60+;;;;;;
InChiKey: InChIKey=YVRCSEXCICFISV-AQBRTFBSSA-H

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