(E)-4-oxidanyl-4-oxidanylidene-but-2-enoate; [2-oxidanyl-3-[4-propanoyl-2-(propoxymethyl)phenoxy]propyl]-phenethyl-azanium

Systemtic Name: (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate; [2-oxidanyl-3-[4-propanoyl-2-(propoxymethyl)phenoxy]propyl]-phenethyl-azanium Openeye Name: (E)-4-hydroxy-4-oxo-but-2-enoate; [2-hydroxy-3-[4-propanoyl-2-(propoxymethyl)phenoxy]propyl]-phenethyl-ammonium CAS Name: (E)-4-hydroxy-4-oxo-2-butenoate; [2-hydroxy-3-[4-(1-oxopropyl)-2-(propoxymethyl)phenoxy]propyl]-phenethylammonium IUPAC Name: (E)-4-hydroxy-4-oxobut-2-enoate; [2-hydroxy-3-[4-propanoyl-2-(propoxymethyl)phenoxy]propyl]-phenethylazanium Traditional Name: (E)-4-hydroxy-4-keto-but-2-enoate; [2-hydroxy-3-[4-propionyl-2-(propoxymethyl)phenoxy]propyl]-phenethyl-ammonium Formula: C28H37NO8 MolecularWeight: 515.59528

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(C[NH2+]CCC2=CC=CC=C2)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(C[NH2+]CCC2=CC=CC=C2)O.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C24H33NO4.C4H4O4/c1-3-14-28-17-21-15-20(23(27)4-2)10-11-24(21)29-18-22(26)16-25-13-12-19-8-6-5-7-9-19;5-3(6)1-2-4(7)8/h5-11,15,22,25-26H,3-4,12-14,16-18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+