C.I. Pigment Violet 23
| Chemical identification | |
|---|---|
| CAS identifier | 215247-95-3 |
| Pubchem identifier | 11845128 |
| DSSTox identifier | DTXSID501019724 |
| IUPAC name | 2,20-dichloro-13,31-diethyl-4,22-dioxa-13,18,31,36-tetrazanonacyclo[19.15.0.03,19.05,17.06,14.07,12.023,35.024,32.025,30]hexatriaconta-1(36),2,5(17),6(14),7,9,11,15,18,20,23(35),24(32),25,27,29,33-hexadecaene |
| Structure | 2D:2D MOL2D MOL22D SDF 3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT |
| SMILES | CCn1c2ccc3c(c2c2c1cccc2)Oc1c(=N3)c(Cl)c2c(=Nc3c(O2)c2c(cc3)n(c3c2cccc3)CC)c1Cl |
| InChI | InChI=1S/C34H22Cl2N4O2/c1-3-39-21-11-7-5-9-17(21)25-23(39)15-13-19-31(25)41-33-27(35)30-34(28(36)29(33)37-19)42-32-20(38-30)14-16-24-26(32)18-10-6-8-12-22(18)40(24)4-2/h5-16H,3-4H2,1-2H3 |
| InChIKey | QRHKNXDJFJHAMM-UHFFFAOYSA-N |
| Chemical classification | |
|---|---|
| Kingdom | Organic compounds |
| Superclass | Organoheterocyclic compounds |
| Class | Benzoxazines |
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