1GV
Summary
| Name: | 4,4'-thiene-2,5-diylbis(3-methylphenol) |
| Formula: | C18 H16 O2 S |
| Formal charge: | 0 |
| Formula weight: | 296.383 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4,4'-thiene-2,5-diylbis(3-methylphenol) |
| OpenEye OEToolkits | 1.7.6 | 3-methyl-4-[5-(2-methyl-4-oxidanyl-phenyl)thiophen-2-yl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc3ccc(c2sc(c1c(cc(O)cc1)C)cc2)c(c3)C |
| InChI | InChI | 1.03 | InChI=1S/C18H16O2S/c1-11-9-13(19)3-5-15(11)17-7-8-18(21-17)16-6-4-14(20)10-12(16)2/h3-10,19-20H,1-2H3 |
| InChIKey | InChI | 1.03 | YNNUHVCXPCSFPM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(O)ccc1c2sc(cc2)c3ccc(O)cc3C |
| SMILES | CACTVS | 3.370 | Cc1cc(O)ccc1c2sc(cc2)c3ccc(O)cc3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(ccc1c2ccc(s2)c3ccc(cc3C)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(ccc1c2ccc(s2)c3ccc(cc3C)O)O |
