(2-hydroxyphenyl)methyl-dimethyl-azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: (2-hydroxyphenyl)methyl-dimethyl-azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-hydroxy-4-oxo-but-2-enoate; (2-hydroxyphenyl)methyl-dimethyl-ammonium CAS Name: (E)-4-hydroxy-4-oxo-2-butenoate; (2-hydroxyphenyl)methyl-dimethylammonium IUPAC Name: (E)-4-hydroxy-4-oxobut-2-enoate; (2-hydroxyphenyl)methyl-dimethylazanium Traditional Name: dimethyl(salicyl)ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1O.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C9H13NO.C4H4O4/c1-10(2)7-8-5-3-4-6-9(8)11;5-3(6)1-2-4(7)8/h3-6,11H,7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+