Pigment yellow 168
Properties
- Molecular formula
- C32H24CaCl2N8O14S2
- Molar mass
- 919.68 g/mol
- Exact mass
- 917.9856 Da
- logP
- 3.44Crippen estimate
- Polar surface area
- 171.9 Ų
- H-bond donors / acceptors
- 2 / 8
- Rotatable bonds
- 7
Identifiers
CAS number
71832-85-4SMILES
CC(=O)C(N=Nc1ccc(S([O-])(=O)=O)cc1[N+]([O-])=O)C(=O)Nc1ccccc1Cl.CC(=O)C(N=Nc1ccc(S([O-])(=O)=O)cc1[N+]([O-])=O)C(=O)Nc1ccccc1Cl.[Ca+2]InChIKey
VHYMEUSEXOYUAW-UHFFFAOYSA-NInChI
InChI=1S/C16H13ClN4O7S.Ca/c1-9(22)15(16(23)18-12-5-3-2-4-11(12)17)20-19-13-7-6-10(29(26,27)28)8-14(13)21(24)25;/h2-8,15H,1H3,(H,18,23)(H,26,27,28);Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Benzenesulfonic acid, 4-[2-[1-[[(2-chlorophenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-3-nitro-, calcium salt (2:1)
- Benzenesulfonic acid, 4-[[1-[[(2-chlorophenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitro-, calcium salt (2:1)
- C.I. Pigment yellow 168
- C.I. 13960
- Irgalite yellow WGP
- C.I. Pigment yellow 68
- PY 168
- Paliotol yellow K 1070
- Yellow K 1070
Work with Pigment yellow 168
Similar compounds
C.I. Acid yellow 442429-76-745 % similar
Light yellow2512-29-043 % similar
Sodium 4-chloro-3-nitrobenzenesulfonate17691-19-942 % similar
Pigment yellow 656528-34-341 % similar
Pigment yellow 191129423-54-738 % similar
Pigment orange 3612236-62-337 % similar
Pigment yellow 746358-31-235 % similar
Pigment yellow 126358-85-635 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds