178
Summary
| Name: | 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-2-ISOPROPYLPHENOL |
| Formula: | C18 H22 O2 S |
| Formal charge: | 0 |
| Formula weight: | 302.431 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4,4'-sulfanediylbis[2-(1-methylethyl)phenol] |
| OpenEye OEToolkits | 1.5.0 | 4-(4-hydroxy-3-propan-2-yl-phenyl)sulfanyl-2-propan-2-yl-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S(c1ccc(O)c(c1)C(C)C)c2cc(c(O)cc2)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)c1cc(Sc2ccc(O)c(c2)C(C)C)ccc1O |
| SMILES | CACTVS | 3.341 | CC(C)c1cc(Sc2ccc(O)c(c2)C(C)C)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)c1cc(ccc1O)Sc2ccc(c(c2)C(C)C)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)c1cc(ccc1O)Sc2ccc(c(c2)C(C)C)O |
| InChI | InChI | 1.03 | InChI=1S/C18H22O2S/c1-11(2)15-9-13(5-7-17(15)19)21-14-6-8-18(20)16(10-14)12(3)4/h5-12,19-20H,1-4H3 |
| InChIKey | InChI | 1.03 | NEMLLZAROZVCCE-UHFFFAOYSA-N |
