CAS Registry Number®
85959-73-5
CAS Name
Cobaltate(3-), bis[2-(hydroxy-κO)-5-nitro-3-[2-[2-(oxo-κO)-1-[(phenylamino)carbonyl]propyl]diazenyl-κN1]benzenesulfonato(3-)]-, sodium (1:3)
Molecular Formula
C32H22CoN8O16S2.3Na
Other Names and Identifiers
InChI
InChI=1S/2C16H13N4O8S.Co.3Na/c2*1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;;;;/h2*2-8,22H,1H3,(H,17,23)(H,26,27,28);;;;/q2*-1;+3;3*+1/p-4
InChIKey
InChIKey=IFQAWLQDQZIVPI-UHFFFAOYSA-J
SMILES
CC1=O[Co+3]234([N](C=5C([O-]2)=C(S(=O)(=O)[O-])C=C(N(=O)=O)C5)=N[C-](C(NC6=CC=CC=C6)=O)C(C)=O3)[N](C=7C([O-]4)=C(S(=O)(=O)[O-])C=C(N(=O)=O)C7)=N[C-]1C(NC8=CC=CC=C8)=O.[Na+]
Canonical SMILES
[Na+].O=C(NC=1C=CC=CC1)[C-]2N=[N]3C=4C=C(C=C(C4[O-][Co+3]563(O=C2C)O=C([C-](N=[N]6C=7C=C(C=C(C7[O-]5)S(=O)(=O)[O-])N(=O)=O)C(=O)NC=8C=CC=CC8)C)S(=O)(=O)[O-])N(=O)=O
Other Names for this Substance
- Cobaltate(3-), bis[2-(hydroxy-κO)-5-nitro-3-[2-[2-(oxo-κO)-1-[(phenylamino)carbonyl]propyl]diazenyl-κN1]benzenesulfonato(3-)]-, sodium (1:3)
- Cobaltate(3-), bis[2-hydroxy-5-nitro-3-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]benzenesulfonato(3-)]-, trisodium
- Cobaltate(3-), bis[2-(hydroxy-κO)-5-nitro-3-[[2-(oxo-κO)-1-[(phenylamino)carbonyl]propyl]azo-κN1]benzenesulfonato(3-)]-, trisodium
- Benzenesulfonic acid, 2-hydroxy-5-nitro-3-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]-, cobalt complex
- Gryfalan Yellow RL
