1-{3-氯-4-[2-(4-{[(1E)-(4-氯苯基)甲亚基]氨基}苯基)-4-羰基喹唑啉-3(4H)-基]苯基}-3-苯基硫代脲

CAS号
83512-97-4
CCD编号
CCD00240127
分子式
C40 H38 N12 O18 S6 . 6 Na
分子量
1305.14

基本信息

产品名称: 1-{3-氯-4-[2-(4-{[(1E)-(4-氯苯基)甲亚基]氨基}苯基)-4-羰基喹唑啉-3(4H)-基]苯基}-3-苯基硫代脲
CAS: 83512-97-4
中文同义词: 1-{3-氯-4-[2-(4-{[(1E)-(4-氯苯基)甲亚基]氨基}苯基)-4-羰基喹唑啉-3(4H)-基]苯基}-3-苯基硫代脲
英文同义词: FLUORESCENT BRIGHTENER 357 ; HEXASODIUM 2,2'-[VINYLENEBIS[(3-SULPHONATO-4,1-PHENYLENE)IMINO[6-(DIETHYLAMINO)-1,3,5-TRIAZINE-4,2-DIYL]IMINO]]BIS(BENZENE-1,4-DISULPHONATE) ; HEXASODIUM2,2'-(1,2-ETHENEDIYLBIS[(3-SULFONATO-4,1-PHENYLENE)IMINO[6-(DIETHYLAMINO)-1,3,5-TRIAZINE-4,2-DIYL]IMINO])DI(1,4-BENZENEDISULFONATE)
MDL号: MFCD01683559
氢键受体数量: 30
氢键供体数量: 4
Smile: CCN(CC)c1nc(nc(n1)Nc2cc(ccc2S(=O)(=O)[O-])S(=O)(=O)[O-])Nc3ccc(c(c3)S(=O)(=O)[O-])/C=C/c4ccc(cc4S(=O)(=O)[O-])Nc5nc(nc(n5)N(CC)CC)Nc6cc(ccc6S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChi: InChI=1S/C40H44N12O18S6.6Na/c1-5-51(6-2)39-47-35(45-37(49-39)43-29-21-27(71(53,54)55)15-17-31(29)73(59,60)61)41-25-13-11-23(33(19-25)75(65,66)67)9-10-24-12-14-26(20-34(24)76(68,69)70)42-36-46-38(50-40(48-36)52(7-3)8-4)44-30-22-28(72(56,57)58)16-18-32(30)74(62,63)64;;;;;;/h9-22H,5-8H2,1-4H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;;;/q;6*+1/p-6/b10-9+;;;;;;
InChiKey: InChIKey=KMPSLWWDIJFERN-PTNBLCRGSA-H

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