magnesium; ethyl 4-(2-phenylprop-2-enoxymethyl)benzoate; propane

Systemtic Name: magnesium; ethyl 4-(2-phenylprop-2-enoxymethyl)benzoate; propane Openeye Name: magnesium; ethyl 4-(2-phenylallyloxymethyl)benzoate; propane CAS Name: magnesium; 4-(2-phenylprop-2-enoxymethyl)benzoic acid ethyl ester; propane IUPAC Name: magnesium; ethyl 4-(2-phenylprop-2-enoxymethyl)benzoate; propane Traditional Name: magnesium; 4-(2-phenylallyloxymethyl)benzoic acid ethyl ester; propane Formula: C22H26MgO3 MolecularWeight: 362.74504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)COCC(=[CH-])C2=CC=CC=C2.C[CH-]C.[Mg+2]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)COCC(=[CH-])C2=CC=CC=C2.C[CH-]C.[Mg+2]

InChI

InChI=1S/C19H19O3.C3H7.Mg/c1-3-22-19(20)18-11-9-16(10-12-18)14-21-13-15(2)17-7-5-4-6-8-17;1-3-2;/h2,4-12H,3,13-14H2,1H3;3H,1-2H3;/q2*-1;+2