C.I. Pigment Blue 15
| Chemical identification | |
|---|---|
| CAS identifier | 147-14-8 |
| Pubchem identifier | 6531516 |
| DSSTox identifier | DTXSID8027117 |
| IUPAC name | copper 2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene |
| Structure | 2D:2D MOL2D MOL22D SDF 3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT |
| SMILES | c1ccc2c(c1)C1=N/C/2=Nc2[n-]c(c3c2cccc3)/N=c/2[n-]/c(=NC3=N/C(=N1)/c1ccccc31)/c1c2cccc1.[Cu+2] |
| InChI | InChI=1S/C32H16N8.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2 |
| InChIKey | XCJYREBRNVKWGJ-UHFFFAOYSA-N |
| Chemical classification | |
|---|---|
| Kingdom | Organic compounds |
| Superclass | Organoheterocyclic compounds |
| Class | Tetrapyrroles and derivatives |
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