calcium 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid tetrahydrate

Systemtic Name: calcium 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid tetrahydrate Openeye Name: calcium 3-(4,5-diphenyloxazol-2-yl)propanoic acid tetrahydrate CAS Name: calcium 3-(4,5-diphenyl-2-oxazolyl)propanoic acid tetrahydrate IUPAC Name: calcium 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid tetrahydrate Traditional Name: calcium 3-(4,5-diphenyloxazol-2-yl)propionic acid tetrahydrate Formula: C18H23CaNO7+2 MolecularWeight: 405.45572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3.O.O.O.O.[Ca+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3.O.O.O.O.[Ca+2]

InChI

InChI=1S/C18H15NO3.Ca.4H2O/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14;;;;;/h1-10H,11-12H2,(H,20,21);;4*1H2/q;+2;;;;