NTS
Summary
| Name: | NAPHTHALENE TRISULFONATE |
| Formula: | C10 H5 O9 S3 |
| Formal charge: | -3 |
| Formula weight: | 365.336 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | naphthalene-1,3,6-trisulfonate |
| OpenEye OEToolkits | 1.5.0 | naphthalene-1,3,6-trisulfonate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]S(=O)(=O)c1cc2c(cc1)c(cc(c2)S([O-])(=O)=O)S([O-])(=O)=O |
| SMILES_CANONICAL | CACTVS | 3.341 | [O-][S](=O)(=O)c1ccc2c(c1)cc(cc2[S]([O-])(=O)=O)[S]([O-])(=O)=O |
| SMILES | CACTVS | 3.341 | [O-][S](=O)(=O)c1ccc2c(c1)cc(cc2[S]([O-])(=O)=O)[S]([O-])(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1S(=O)(=O)[O-])cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1S(=O)(=O)[O-])cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3 |
| InChIKey | InChI | 1.03 | ZPBSAMLXSQCSOX-UHFFFAOYSA-K |
