(1-benzylcyclohexyl)-(2-diethylammonioethyl)azanium; (Z)-4-hydroxy-4-oxo-but-2-enoate

Molecular Formula: C27H40N2O8


InChI: InChI=1/C19H32N2.2C4H4O4/c1-3-21(4-2)16-15-20-19(13-9-6-10-14-19)17-18-11-7-5-8-12-18;2*5-3(6)1-2-4(7)8/h5,7-8,11-12,20H,3-4,6,9-10,13-17H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-/fC19H34N2.2C4H3O4/h20-21H;2*5H/q+2;2*-1

InChIKey: InChIKey=ONXSPVROSGNSMO-YJMXSQJDDE
SMILES: CC[NH+](CC)CC[NH2+]C1(CCCCC1)CC2=CC=CC=C2.C(=CC(=O)[O-])C(=O)O.C(=CC(=O)[O-])C(=O)O

Names:
    (1-benzylcyclohexyl)-(2-diethylammonioethyl)azanium; (Z)-4-hydroxy-4-oxo-but-2-enoate

Registries:
    PubChem CID 6433771
    PubChem ID 11620619