PDB CCD ID: | 76D |
Number of entries in BioLiP: | 1 |
Chemical formula: | C16 H24 O2 |
InChI: | InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18) |
InChIKey: | ULVHAZFBJJXIDO-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | O=C(O)c1c(cc(cc1C(C)C)C(C)C)C(C)C | CACTVS 3.385 | CC(C)c1cc(C(C)C)c(C(O)=O)c(c1)C(C)C | OpenEye OEToolkits 1.7.6 | CC(C)c1cc(c(c(c1)C(C)C)C(=O)O)C(C)C |
|
Name: | 2,4,6-tri(propan-2-yl)benzoic acid; 2,4,6-triisopropylbenzoic acid |
ChEMBL: | CHEMBL3400905 |
ZINC: | ZINC000000156213 |