H3W
Summary
| Name: | bisphenol-B |
| Formula: | C16 H18 O2 |
| Formal charge: | 0 |
| Formula weight: | 242.313 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-[2-(4-hydroxyphenyl)butan-2-yl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3 |
| InChIKey | InChI | 1.03 | HTVITOHKHWFJKO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(C)(c1ccc(O)cc1)c2ccc(O)cc2 |
| SMILES | CACTVS | 3.385 | CCC(C)(c1ccc(O)cc1)c2ccc(O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(C)(c1ccc(cc1)O)c2ccc(cc2)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(C)(c1ccc(cc1)O)c2ccc(cc2)O |
