3-(1-phenylethyl)imidazole-4-carboxylate sulfate

Systemtic Name: 3-(1-phenylethyl)imidazole-4-carboxylate sulfate Openeye Name: 3-(1-phenylethyl)imidazole-4-carboxylate sulfate CAS Name: 3-(1-phenylethyl)-4-imidazolecarboxylate sulfate IUPAC Name: 3-(1-phenylethyl)imidazole-4-carboxylate sulfate Traditional Name: 3-(1-phenylethyl)imidazole-4-carboxylate sulfate Formula: C12H11N2O6S-3 MolecularWeight: 311.29054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=NC=C2C(=O)[O-].[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)N2C=NC=C2C(=O)[O-].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C12H12N2O2.H2O4S/c1-9(10-5-3-2-4-6-10)14-8-13-7-11(14)12(15)16;1-5(2,3)4/h2-9H,1H3,(H,15,16);(H2,1,2,3,4)/p-3