HEXASODIUM 2,2'-(1,2-ETHENEDIYLBIS[(3-SULFONATO-4,1-PHENYLENE)IMINO[6-(4-MORPHOLINYL)-1,3,5-TRIAZINE-4,2-DIYL]IMINO])DI(1,4-BENZENEDISULFONATE)

CAS No.
52301-70-9
CCD No.
CCD08092481
Formula
C40 H34 N12 O20 S6 . 6 Na
MolWeight
1333.11

Basic Information

Product Name: HEXASODIUM 2,2'-(1,2-ETHENEDIYLBIS[(3-SULFONATO-4,1-PHENYLENE)IMINO[6-(4-MORPHOLINYL)-1,3,5-TRIAZINE-4,2-DIYL]IMINO])DI(1,4-BENZENEDISULFONATE)
CAS: 52301-70-9
English Synonyms: HEXASODIUM 2,2'-(1,2-ETHENEDIYLBIS[(3-SULFONATO-4,1-PHENYLENE)IMINO[6-(4-MORPHOLINYL)-1,3,5-TRIAZINE-4,2-DIYL]IMINO])DI(1,4-BENZENEDISULFONATE) ; HEXASODIUM 2,2'-[VINYLENEBIS[(3-SULPHONATO-4,1-PHENYLENE)IMINO[6-MORPHOLINO-1,3,5-TRIAZINE-4,2-DIYL]IMINO]]BIS(BENZENE-1,4-DISULPHONATE)
MDL Number.: MFCD01752072
H bond acceptor: 32
H bond donor: 4
Smile: c1cc(c(cc1Nc2nc(nc(n2)N3CCOCC3)Nc4cc(ccc4S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C/c5ccc(cc5S(=O)(=O)[O-])Nc6nc(nc(n6)N7CCOCC7)Nc8cc(ccc8S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChi: InChI=1S/C40H40N12O20S6.6Na/c53-73(54,55)27-7-9-31(75(59,60)61)29(21-27)43-37-45-35(47-39(49-37)51-11-15-71-16-12-51)41-25-5-3-23(33(19-25)77(65,66)67)1-2-24-4-6-26(20-34(24)78(68,69)70)42-36-46-38(50-40(48-36)52-13-17-72-18-14-52)44-30-22-28(74(56,57)58)8-10-32(30)76(62,63)64;;;;;;/h1-10,19-22H,11-18H2,(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/b2-1+;;;;;;
InChiKey: InChIKey=AMECABTUOXBYGQ-IRTUOLCXSA-H

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