ethyl 4,5-diphenyl-1,3-oxazol-3-ium-2-carboxylate perchlorate

Systemtic Name: ethyl 4,5-diphenyl-1,3-oxazol-3-ium-2-carboxylate perchlorate Openeye Name: ethyl 4,5-diphenyloxazol-3-ium-2-carboxylate perchlorate CAS Name: 4,5-diphenyl-2-oxazol-3-iumcarboxylic acid ethyl ester perchlorate IUPAC Name: ethyl 4,5-diphenyl-1,3-oxazol-3-ium-2-carboxylate perchlorate Traditional Name: 4,5-diphenyloxazol-3-ium-2-carboxylic acid ethyl ester perchlorate Formula: C18H16ClNO7 MolecularWeight: 393.77514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[NH+]C(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCOC(=O)C1=[NH+]C(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H15NO3.ClHO4/c1-2-21-18(20)17-19-15(13-9-5-3-6-10-13)16(22-17)14-11-7-4-8-12-14;2-1(3,4)5/h3-12H,2H2,1H3;(H,2,3,4,5)