G50
Summary
Name: | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-1-ONE |
Formula: | C15 H14 O5 |
Formal charge: | 0 |
Formula weight: | 274.269 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one |
OpenEye OEToolkits | 1.5.0 | 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2 |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 |
SMILES | CACTVS | 3.341 | Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2 |
InChIKey | InChI | 1.03 | VGEREEWJJVICBM-UHFFFAOYSA-N |