EHX
Summary
Name: | (9aR)-9a-(dioxidanyl)-1,9-dihydrocarbazole |
Formula: | C12 H11 N O2 |
Formal charge: | 0 |
Formula weight: | 201.221 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (9~{a}~{R})-9~{a}-(dioxidanyl)-1,9-dihydrocarbazole |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C12H11NO2/c14-15-12-8-4-3-6-10(12)9-5-1-2-7-11(9)13-12/h1-7,13-14H,8H2/t12-/m1/s1 |
InChIKey | InChI | 1.03 | UZUUDVVIIUNBSP-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OO[C@]12CC=CC=C1c3ccccc3N2 |
SMILES | CACTVS | 3.385 | OO[C]12CC=CC=C1c3ccccc3N2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C3=CC=CC[C@@]3(N2)OO |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C3=CC=CCC3(N2)OO |