**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

carbazochrome sodium sulfonate

Properties Image MNX_ID MNXM1584430 reference chebi:31350 formula C10H17N4NaO8S global charge 0 mol weight 376.323 InChIKey CQGHBSBJJFZEHQ-LWUOGSMXSA-M InChI InChI=1S/C10H12N4O5S.Na.3H2O/c1-14-7-4-8(15)6(12-13-10(11)16)2-5(7)3-9(14)20(17,18)19;;;;/h2,4,9H,3H2,1H3,(H3,11,13,16)(H,17,18,19);;3*1H2/q;+1;;;/p-1/b12-6-;;;; SMILES CN1C2=CC(=O)/C(=N\NC(N)=O)C=C2CC1S(=O)(=O)[O-].O.O.O.[Na+] MNX internals InChI (mnx) InChI=1/C10H12N4O5S.Na.3H2O/c1-14-7-4-8(15)6(12-13-10(11)16)2-5(7)3-9(14)20(17,18)19;;;;/h2,4,9H,3H2,1H3,(H3,11,13,16)(H,17,18,19);;3*1H2/q;+1;;;/b12-6-;;;;/t9?;;;; SMILES (mnx) [CH3:1][N:14]1[C:7]2=[CH:4][C:8](=[O:15])/[C:6](=[N:12]\[NH:13][C:10]([NH2:11])=[O:16])[CH:2]=[C:5]2[CH2:3][CH:9]1[S:20](=[O:17])(=[O:18])[OH:19].[H][O:22][H].[H][O:23][H].[H][O:24][H].[Na+:21]

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

Identifier	Description
CHEBI:31350 chebi:31350 CQGHBSBJJFZEHQ-LWUOGSMXSA-M	carbazochrome sodium sulfonate Carbazochrome sodium sulfonate