(Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate; (1-phenoxypentan-2-ylamino)azanium

Systemtic Name: (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate; (1-phenoxypentan-2-ylamino)azanium Openeye Name: (Z)-4-hydroxy-4-oxo-but-2-enoate; [1-(phenoxymethyl)butylamino]ammonium CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; (1-phenoxypentan-2-ylamino)ammonium IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; (1-phenoxypentan-2-ylamino)azanium Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; [1-(phenoxymethyl)butylamino]ammonium Formula: C15H22N2O5 MolecularWeight: 310.34558

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(COC1=CC=CC=C1)N[NH3+].C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCCC(COC1=CC=CC=C1)N[NH3+].C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C11H18N2O.C4H4O4/c1-2-6-10(13-12)9-14-11-7-4-3-5-8-11;5-3(6)1-2-4(7)8/h3-5,7-8,10,13H,2,6,9,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-