6WQ
Summary
| Name: | 4-[(5-bromanyl-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol |
| Formula: | C22 H17 Br O2 |
| Formal charge: | 0 |
| Formula weight: | 393.273 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 4-[(5-bromanyl-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H17BrO2/c23-17-6-12-20-16(13-17)5-11-21(20)22(14-1-7-18(24)8-2-14)15-3-9-19(25)10-4-15/h1-4,6-10,12-13,24-25H,5,11H2 |
| InChIKey | InChI | 1.03 | VHFWLOXCPAFWPR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)C(c2ccc(O)cc2)=C3CCc4cc(Br)ccc34 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1)C(c2ccc(O)cc2)=C3CCc4cc(Br)ccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(ccc1C(=C2CCc3c2ccc(c3)Br)c4ccc(cc4)O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(ccc1C(=C2CCc3c2ccc(c3)Br)c4ccc(cc4)O)O |
