A1IUC
Summary
| Name: | 4-phenylmethoxynaphthalene-1-sulfonic acid |
| Formula: | C17 H14 O4 S |
| Formal charge: | 0 |
| Formula weight: | 314.356 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-phenylmethoxynaphthalene-1-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H14O4S/c18-22(19,20)17-11-10-16(14-8-4-5-9-15(14)17)21-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,18,19,20) |
| InChIKey | InChI | 1.06 | ZYIBEMACOFTWFX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[S](=O)(=O)c1ccc(OCc2ccccc2)c3ccccc13 |
| SMILES | CACTVS | 3.385 | O[S](=O)(=O)c1ccc(OCc2ccccc2)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COc2ccc(c3c2cccc3)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COc2ccc(c3c2cccc3)S(=O)(=O)O |
