Heptanal-d14

Compound Identifiers & Properties

CAS

1246819-97-5

PubChem CID

163285712

SMILES

C[C@H]1C(C([C@H](C(O1)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C.C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F

Canonical SMILES

COC(=O)C1O[C@@H](C)C(OC(C)=O)C(OC(C)=O)[C@H]1OC(C)=O.C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1