Search MNXref
 Feedback

N-{8-hydroxy-4,6-disulfO-7-[(e)-2-{7-sulfO-4-[(e)-2-(4-sulfophenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]naphthalen-1-yl}ethanimidic acid

PropertiesImage
MNX_IDMNXM119978 Image of MNXM119978
referencechebi:184515
formulaC28H21N5O14S4
global charge0
mol weight779.765
InChIKeyRXERRVKLABZRCU-CJQWSLHQSA-N
InChIInChI=1S/C28H21N5O14S4/c1-14(34)29-23-10-11-24(50(42,43)44)20-13-25(51(45,46)47)27(28(35)26(20)23)33-32-22-9-8-21(18-7-6-17(12-19(18)22)49(39,40)41)31-30-15-2-4-16(5-3-15)48(36,37)38/h2-13,35H,1H3,(H,29,34)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)/b31-30+,33-32+
SMILESCC(=O)NC1=C2C(O)=C(/N=N/C3=CC=C(/N=N/C4=CC=C(S(=O)(=O)O)C=C4)C4=CC=C(S(=O)(=O)O)C=C34)C(S(=O)(=O)O)=CC2=C(S(=O)(=O)O)C=C1
MNX internals
InChI (mnx)InChI=1/C28H21N5O14S4/c1-14(34)29-23-10-11-24(50(42,43)44)20-13-25(51(45,46)47)27(28(35)26(20)23)33-32-22-9-8-21(18-7-6-17(12-19(18)22)49(39,40)41)31-30-15-2-4-16(5-3-15)48(36,37)38/h2-13,35H,1H3,(H,29,34)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)/b31-30+,33-32+ Image of MNXM119978
SMILES (mnx)[CH3:1][C:14](=[N:29][C:23]1=[C:26]2[C:20](=[C:24]([S:50]([OH:42])(=[O:43])=[O:44])[CH:11]=[CH:10]1)[CH:13]=[C:25]([S:51]([OH:45])(=[O:46])=[O:47])[C:27](/[N:33]=[N:32]/[C:22]1=[CH:9][CH:8]=[C:21](/[N:31]=[N:30]/[C:15]3=[CH:3][CH:5]=[C:16]([S:48]([OH:36])(=[O:37])=[O:38])[CH:4]=[CH:2]3)[C:18]3=[C:19]1[CH:12]=[C:17]([S:49]([OH:39])(=[O:40])=[O:41])[CH:6]=[CH:7]3)=[C:28]2[OH:35])[OH:34]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:184515
chebi:184515
RXERRVKLABZRCU-CJQWSLHQSA-N 		N-{8-hydroxy-4,6-disulfO-7-[(e)-2-{7-sulfO-4-[(e)-2-(4-sulfophenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]naphthalen-1-yl}ethanimidic acid
4-acetamido-5-hydroxy-6-[[7-sulo-4-[(4-sulophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,7-disulonic acid
hmdb:HMDB0033389
RXERRVKLABZRCU-CJQWSLHQSA-N 		C.I. Food Black 1
4-(acetylamino)-5-Hydroxy-6-[[7-sulfO-4-[(4-sulfophenyl)azo]-1-naphthalenyl]azo]-1,7-naphthalenedisulfonic acid, 9ci
4-acetamido-5-hydroxy-6-[(E)-2-{7-sulfo-4-[(E)-2-(4-sulfophenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]naphthalene-1,7-disulfonic acid
Black BN
Black PN
Blue black BN
Brilliant acid black BN extra pure a
Brilliant acid black bna export
Brilliant black
Brilliant black BN
Brilliant black a
C.I. 28440
FOOD Black 1
N-{8-hydroxy-4,6-disulfO-7-[(e)-2-{7-sulfO-4-[(e)-2-(4-sulfophenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]naphthalen-1-yl}ethanimidate
N-{8-hydroxy-4,6-disulphO-7-[(e)-2-{7-sulphO-4-[(e)-2-(4-sulphophenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]naphthalen-1-yl}ethanimidate
N-{8-hydroxy-4,6-disulphO-7-[(e)-2-{7-sulphO-4-[(e)-2-(4-sulphophenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]naphthalen-1-yl}ethanimidic acid
e151

hmdb:HMDB33389 		secondary/obsolete/fantasy identifier