azanium 4-methyl-4-oxidanyl-hex-2-ynoate

Systemtic Name: azanium 4-methyl-4-oxidanyl-hex-2-ynoate Openeye Name: ammonium 4-hydroxy-4-methyl-hex-2-ynoate CAS Name: ammonium 4-hydroxy-4-methyl-2-hexynoate IUPAC Name: azanium 4-hydroxy-4-methylhex-2-ynoate Traditional Name: ammonium 4-hydroxy-4-methyl-hex-2-ynoate Formula: C7H13NO3 MolecularWeight: 159.18302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#CC(=O)[O-])O.[NH4+]

Isomeric SMILES

CCC(C)(C#CC(=O)[O-])O.[NH4+]

InChI

InChI=1S/C7H10O3.H3N/c1-3-7(2,10)5-4-6(8)9;/h10H,3H2,1-2H3,(H,8,9);1H3