E3U
Summary
Name: | (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one |
Formula: | C16 H12 O6 |
Formal charge: | 0 |
Formula weight: | 300.263 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (6~{a}~{R})-3,4,6~{a},10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,17,19-21H,5-6H2/t16-/m0/s1 |
InChIKey | InChI | 1.03 | HLUCICHZHWJHLL-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc2c(OC[C@@]3(O)CC4=CC(=O)C(=CC4=C23)O)c1O |
SMILES | CACTVS | 3.385 | Oc1ccc2c(OC[C]3(O)CC4=CC(=O)C(=CC4=C23)O)c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c2c1C3=C4C=C(C(=O)C=C4C[C@@]3(CO2)O)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c2c1C3=C4C=C(C(=O)C=C4CC3(CO2)O)O)O)O |