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

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

Systemtic Name:ethane; 3-(1-phenylethyl)imidazole-4-carboxylate; sulfate
Openeye Name:ethane; 3-(1-phenylethyl)imidazole-4-carboxylate; sulfate
CAS Name:ethane; 3-(1-phenylethyl)-4-imidazolecarboxylate; sulfate
IUPAC Name:ethane; 3-(1-phenylethyl)imidazole-4-carboxylate; sulfate
Traditional Name:ethane; 3-(1-phenylethyl)imidazole-4-carboxylate; sulfate
Formula: C14H16N2O6S-3
MolecularWeight: 340.35164
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Descriptors Computed from Structure

Canonical SMILES:

C[CH2].CC(C1=CC=CC=C1)N2C=NC=C2C(=O)[O-].[O-]S(=O)(=O)[O-]


Isomeric SMILES

C[CH2].CC(C1=CC=CC=C1)N2C=NC=C2C(=O)[O-].[O-]S(=O)(=O)[O-]


InChI

InChI=1S/C12H12N2O2.C2H5.H2O4S/c1-9(10-5-3-2-4-6-10)14-8-13-7-11(14)12(15)16;1-2;1-5(2,3)4/h2-9H,1H3,(H,15,16);1H2,2H3;(H2,1,2,3,4)/p-3


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