C.I. Pigment Red 63, calcium salt (1:1)
| Chemical identification | |
|---|---|
| CAS identifier | 6417-83-0 |
| Pubchem identifier | 135487685 |
| DSSTox identifier | DTXSID4064347 |
| IUPAC name | calcium 2-[(3-carboxy-2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate |
| Structure | 2D:2D MOL2D MOL22D SDF 3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT |
| SMILES | OC(=O)c1cc2ccccc2c(c1[O-])/N=N/c1ccc2c(c1S(=O)(=O)[O-])cccc2.[Ca+2] |
| InChI | InChI=1S/C21H14N2O6S.Ca/c24-19-16(21(25)26)11-13-6-2-3-7-14(13)18(19)23-22-17-10-9-12-5-1-4-8-15(12)20(17)30(27,28)29;/h1-11,24H,(H,25,26)(H,27,28,29);/q;+2/p-2/b23-22+; |
| InChIKey | OVHKKOQGPOYPLY-PGCQSHBKSA-L |
| Chemical classification | |
|---|---|
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Naphthalenes |
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