CAS Registry Number®
CAS Name
Ferrate(1-), [3-[2-[3-[2-[4-[2-[3-[[4,6-bis[[3-(diethylamino)propyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-(hydroxy-κO)-4-hydroxyphenyl]diazenyl-κN1]-4-(hydroxy-κO)benzenesulfonamidato(2-)][3-[2-[5-[2-[4-[2-[3-[[4,6-bis[[3-(diethylamino)propyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-(hydroxy-κO)-4-(hydroxy-κO)phenyl]diazenyl-κN1]-4-(hydroxy-κO)benzenesulfonamidato(2-)]-, hydrogen, 2-hydroxypropanoate (1:1:3)
Molecular Formula
C86H110FeN30O10S2.3C3H6O3.H
Molecular Mass
2115.21
Other Names and Identifiers
InChI
InChI=1S/2C43H57N15O5S.C3H6O3.Fe/c1-7-57(8-2)22-12-20-45-41-48-42(46-21-13-23-58(9-3)10-4)50-43(49-41)47-30-14-11-15-31(26-30)51-53-34-24-29(6)35(25-28(34)5)54-56-39-38(60)19-17-33(40(39)61)52-55-36-27-32(64(44,62)63)16-18-37(36)59;1-7-57(8-2)20-12-18-45-41-48-42(46-19-13-21-58(9-3)10-4)50-43(49-41)47-30-14-11-15-31(24-30)51-52-33-22-29(6)34(23-28(33)5)53-55-36-26-37(40(61)27-39(36)60)56-54-35-25-32(64(44,62)63)16-17-38(35)59;1-2(4)3(5)6;/h11,14-19,24-27,59-61H,7-10,12-13,20-23H2,1-6H3,(H2,44,62,63)(H3,45,46,47,48,49,50);11,14-17,22-27,59-61H,7-10,12-13,18-21H2,1-6H3,(H2,44,62,63)(H3,45,46,47,48,49,50);2,4H,1H3,(H,5,6);/q;;;+3/p-3
InChIKey
InChIKey=INZXABNDIKAZSN-UHFFFAOYSA-K
SMILES
N(=NC1=C(C)C=C(N=NC2=CC(NC=3N=C(NCCCN(CC)CC)N=C(NCCCN(CC)CC)N3)=CC=C2)C(C)=C1)C4=C5[O-][Fe+3]678([N](C=9C([O-]6)=CC=C(S(N)(=O)=O)C9)=NC=%10C([O-]7)=CC(O)=C(N=NC%11=C(C)C=C(N=NC%12=CC(NC=%13N=C(NCCCN(CC)CC)N=C(NCCCN(CC)CC)N%13)=CC=C%12)C(C)=C%11)C%10)[N](C=%14C([O-]8)=CC=C(S(N)(=O)=O)C%14)=NC5=CC=C4O.[H+].C(C(O)=O)(C)O
Canonical SMILES
[H+].O=C(O)C(O)C.O=S(=O)(N)C=1C=CC=2[O-][Fe+3]345([O-]C=6C=CC(=CC6[N]4=NC7=CC(N=NC8=CC(=C(N=NC9=CC=CC(=C9)NC=%10N=C(N=C(N%10)NCCCN(CC)CC)NCCCN(CC)CC)C=C8C)C)=C(O)C=C7[O-]3)S(=O)(=O)N)[O-]C=%11C(N=[N]5C2C1)=CC=C(O)C%11N=NC%12=CC(=C(N=NC%13=CC=CC(=C%13)NC=%14N=C(N=C(N%14)NCCCN(CC)CC)NCCCN(CC)CC)C=C%12C)C
Other Names for this Substance
- Ferrate(1-), [3-[2-[3-[2-[4-[2-[3-[[4,6-bis[[3-(diethylamino)propyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-(hydroxy-κO)-4-hydroxyphenyl]diazenyl-κN1]-4-(hydroxy-κO)benzenesulfonamidato(2-)][3-[2-[5-[2-[4-[2-[3-[[4,6-bis[[3-(diethylamino)propyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-(hydroxy-κO)-4-(hydroxy-κO)phenyl]diazenyl-κN1]-4-(hydroxy-κO)benzenesulfonamidato(2-)]-, hydrogen, 2-hydroxypropanoate (1:1:3)
- Ferrate(1-), [3-[[3-[[4-[[3-[[4,6-bis[[3-(diethylamino)propyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-2,5-dimethylphenyl]azo]-2,4-dihydroxyphenyl]azo]-4-hydroxybenzenesulfonamidato(2-)][3-[[5-[[4-[[3-[[4,6-bis[[3-(diethylamino)propyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-2,5-dimethylphenyl]azo]-2,4-dihydroxyphenyl]azo]-4-hydroxybenzenesulfonamidato(2-)]-, hydrogen, tris(2-hydroxypropanoate) (salt)
- Benzenesulfonamide, 3-[[3-[[4-[[3-[[4,6-bis[[3-(diethylamino)propyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-2,5-dimethylphenyl]azo]-2,4-dihydrophenyl]azo]-4-hydroxy-, iron complex
- Benzenesulfonamide, 3-[[5-[[4-[[3-[[4,6-bis[[3-(diethylamino)propyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-2,5-dimethylphenyl]azo]-2,4-dihydrophenyl]azo]-4-hydroxy-, iron complex
- Propanoic acid, 2-hydroxy-, compd. with hydrogen [3-[[3-[[4-[[3-[[4,6-bis[[3-(diethylamino)propyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-2,5-dimethylphenyl]azo]-2,4-dihydroxyphenyl]azo]-4-hydroxybenzenesulfonamidato(2-)][3-[[5-[[4-[[3-[[4,6-bis[[3-(diethylamino)propyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-2,5-dimethylphenyl]azo]-2,4-dihydroxyphenyl]azo]-4-hydroxybenzenesulfonamidato(2-)]ferrate(1-) (3:1)
