C.I. Pigment Red 179
| Chemical identification | |
|---|---|
| CAS identifier | 5521-31-3 |
| Pubchem identifier | 79657 |
| DSSTox identifier | DTXSID9029273 |
| IUPAC name | 7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone |
| Structure | 2D:2D MOL2D MOL22D SDF 3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT |
| SMILES | CN1C(=O)c2ccc3c4c2c(C1=O)ccc4c1c2c3ccc3c2c(cc1)C(=O)N(C3=O)C |
| InChI | InChI=1S/C26H14N2O4/c1-27-23(29)15-7-3-11-13-5-9-17-22-18(26(32)28(2)25(17)31)10-6-14(20(13)22)12-4-8-16(24(27)30)21(15)19(11)12/h3-10H,1-2H3 |
| InChIKey | PJQYNUFEEZFYIS-UHFFFAOYSA-N |
| Chemical classification | |
|---|---|
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Phenanthrenes and derivatives |
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