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2,2'-azino-bis-(3-ethylbenzothiazoline-6-sulfonate)

PropertiesImage
MNX_IDMNXM14106 Image of MNXM14106
referencemetacycM:CPD-12796
formulaC18H16N4O6S4
global charge-2
mol weight512.616
InChIKeyZTOJFFHGPLIVKC-YAFCTCPESA-L
InChIInChI=1S/C18H18N4O6S4/c1-3-21-13-7-5-11(31(23,24)25)9-15(13)29-17(21)19-20-18-22(4-2)14-8-6-12(32(26,27)28)10-16(14)30-18/h5-10H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28)/p-2/b19-17-,20-18+
SMILESCCN1C2=C(C=C(S(=O)(=O)[O-])C=C2)S/C1=N\N=C1\SC2=C(C=CC(S(=O)(=O)[O-])=C2)N1CC
MNX internals
InChI (mnx)InChI=1/C18H18N4O6S4/c1-3-21-13-7-5-11(31(23,24)25)9-15(13)29-17(21)19-20-18-22(4-2)14-8-6-12(32(26,27)28)10-16(14)30-18/h5-10H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28)/b19-17-,20-18+ Image of MNXM14106
SMILES (mnx)[CH3:1][CH2:3][N:21]1[C:13]2=[C:15]([CH:9]=[C:11]([S:31]([OH:23])(=[O:24])=[O:25])[CH:5]=[CH:7]2)[S:29]/[C:17]1=[N:19]\[N:20]=[C:18]1/[N:22]([CH2:4][CH3:2])[C:14]2=[C:16]([CH:10]=[C:12]([S:32]([OH:26])(=[O:27])=[O:28])[CH:6]=[CH:8]2)[S:30]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-12796
metacycM:CPD-12796
seed.compound:cpd23584
seedM:cpd23584
ZTOJFFHGPLIVKC-YAFCTCPESA-L 		2,2'-azino-bis-(3-ethylbenzothiazoline-6-sulfonate)
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid
2,2'-azino-di-(3-ethylbenzothiazoline-6-sulfonate)
ABTS

sabiork.compound:20782
sabiorkM:20782
ZTOJFFHGPLIVKC-YAFCTCPESA-N 		2,2'-Azino-bis(3-ethylbenzthiazoline-6-sulfonic acid)
(2Z)-3-Ethyl-2-[(2E)-(3-ethyl-6-sulfo-1,3-benzothiazol-2(3H)-ylidene)hydrazono]-2,3-dihydro-1,3-benzothiazole-6-sulfonic acid
2,2'-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid)
2,2'-Azino-bis(3-ethylbenzthiazoline-6-sulphonic acid
ABTS

seedM:M_cpd23584 		secondary/obsolete/fantasy identifier