C.I. Acid Green 16
| Chemical identification | |
|---|---|
| CAS identifier | 12768-78-4 |
| Pubchem identifier | 160685 |
| DSSTox identifier | DTXSID10925937 |
| IUPAC name | sodium 4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalene-2,7-disulfonate |
| Structure | 2D:2D MOL2D MOL22D SDF 3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT |
| SMILES | CC[N+](=C1C=C/C(=C(c2cc(cc3c2ccc(c3)S(=O)(=O)[O-])S(=O)(=O)[O-])/c2ccc(cc2)N(CC)CC)/C=C1)CC.[Na+] |
| InChI | InChI=1S/C31H34N2O6S2.Na/c1-5-32(6-2)25-13-9-22(10-14-25)31(23-11-15-26(16-12-23)33(7-3)8-4)30-21-28(41(37,38)39)20-24-19-27(40(34,35)36)17-18-29(24)30;/h9-21H,5-8H2,1-4H3,(H-,34,35,36,37,38,39);/q;+1/p-1 |
| InChIKey | UWGCNDBLFSEBDW-UHFFFAOYSA-M |
| Chemical classification | |
|---|---|
| Kingdom | Organic compounds |
| Superclass | Phenylpropanoids and polyketides |
| Class | Stilbenes |
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