C.I. Pigment Violet 1
| Chemical identification | |
|---|---|
| CAS identifier | 1326-03-0 |
| Pubchem identifier | 76045754 |
| DSSTox identifier | DTXSID3025918 |
| IUPAC name | [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium dihydrogen phosphate dioxomolybdenum sulfuric acid |
| Structure | 2D:2D MOL2D MOL22D SDF 3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT |
| SMILES | [O-]P(=O)(O)O.OS(=O)(=O)O.CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC.O=[Mo]=O |
| InChI | InChI=1S/C28H30N2O3.Mo.H3O4P.H2O4S.2O/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;;2*1-5(2,3)4;;/h9-18H,5-8H2,1-4H3;;(H3,1,2,3,4);(H2,1,2,3,4);; |
| InChIKey | KUSIIMXPGJKPHK-UHFFFAOYSA-N |
| Chemical classification | |
|---|---|
| Kingdom | Organic compounds |
| Superclass | Organoheterocyclic compounds |
| Class | Benzopyrans |
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