tert-butylazanium; (E)-2-carboxy-5-phenyl-pent-2-en-4-ynoate

Systemtic Name: tert-butylazanium; (E)-2-carboxy-5-phenyl-pent-2-en-4-ynoate Openeye Name: tert-butylammonium; (E)-2-carboxy-5-phenyl-pent-2-en-4-ynoate CAS Name: tert-butylammonium; (E)-2-carboxy-5-phenylpent-2-en-4-ynoate IUPAC Name: tert-butylazanium; (E)-2-carboxy-5-phenylpent-2-en-4-ynoate Traditional Name: tert-butylammonium; (E)-2-carboxy-5-phenyl-pent-2-en-4-ynoate Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8O4.C4H11N/c13-11(14)10(12(15)16)8-4-7-9-5-2-1-3-6-9;1-4(2,3)5/h1-3,5-6,8H,(H,13,14)(H,15,16);5H2,1-3H3