PDB CCD ID: | 1TN |
Number of entries in BioLiP: | 4 |
Chemical formula: | C18 H21 N O4 |
InChI: | InChI=1S/C18H21NO4/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)23-17-10-7-6-9-15(17)19(21)22/h6-7,9-13,20H,2-5,8H2,1H3 |
InChIKey: | ASCHWJRXPZBPHV-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | CCCCCCc1ccc(Oc2ccccc2[N+]([O-])=O)c(O)c1 | OpenEye OEToolkits 1.9.2 | CCCCCCc1ccc(c(c1)O)Oc2ccccc2[N+](=O)[O-] | ACDLabs 12.01 | [O-][N+](=O)c2c(Oc1ccc(cc1O)CCCCCC)cccc2 |
|
Name: | 5-hexyl-2-(2-nitrophenoxy)phenol |
ChEMBL: | CHEMBL264415 |
ZINC: | ZINC000029050100 |