C.I. Pigment Red 57, calcium salt (1:1)
| Chemical identification | |
|---|---|
| CAS identifier | 5281-04-9 |
| Pubchem identifier | 135423095 |
| DSSTox identifier | DTXSID7027594 |
| IUPAC name | calcium 2-[(3-carboxy-2-oxidonaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonate |
| Structure | 2D:2D MOL2D MOL22D SDF 3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT |
| SMILES | Cc1ccc(c(c1)S(=O)(=O)[O-])/N=N/c1c([O-])c(cc2c1cccc2)C(=O)O.[Ca+2] |
| InChI | InChI=1S/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2/b20-19+; |
| InChIKey | PZTQVMXMKVTIRC-RZLHGTIFSA-L |
| Chemical classification | |
|---|---|
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Naphthalenes |
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