| Name | 1-amino-4-[(6-nitro-2-benzothiazolyl)amino]-9,10-anthraquinone-2-sulfonic acid |
| CAS | 1229115-40-5 |
| EINECS | InChI=1S/C21H12N4O7S2/c22-18-15(34(30,31)32)8-13(16-17(18)20(27)11-4-2-1-3-10(11)19(16)26)24-21-23-12-6-5-9(25(28)29)7-14(12)33-21/h1-8H,22H2,(H,23,24)(H,30,31,32) |
| InChIKey | ZWXBRAFQPHHKGJ-UHFFFAOYSA-N |
| Canonical Smiles | NC1=C(C=C(NC2=NC3=CC=C(C=C3S2)N(=O)=O)C2=C1C(=O)C1=C(C=CC=C1)C2=O)S(O)(=O)=O |
| Isomers Smiles | NC1=C(C=C(NC2=NC3=CC=C(C=C3S2)N(=O)=O)C2=C1C(=O)C1=C(C=CC=C1)C2=O)S(O)(=O)=O |
| Molecular Formula | C21H12N4O7S2 |
| Molar Mass | 496.47 |
| PSA | 221.89000 |
| logP | 5.81060 |