(Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate; (5-phenoxypentylamino)azanium

Systemtic Name: (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate; (5-phenoxypentylamino)azanium Openeye Name: (Z)-4-hydroxy-4-oxo-but-2-enoate; (5-phenoxypentylamino)ammonium CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; (5-phenoxypentylamino)ammonium IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; (5-phenoxypentylamino)azanium Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; (5-phenoxypentylamino)ammonium Formula: C15H22N2O5 MolecularWeight: 310.34558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCCN[NH3+].C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCCCN[NH3+].C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C11H18N2O.C4H4O4/c12-13-9-5-2-6-10-14-11-7-3-1-4-8-11;5-3(6)1-2-4(7)8/h1,3-4,7-8,13H,2,5-6,9-10,12H2;1-2H,(H,5,6)(H,7,8)/b;2-1-