magnesium (Z)-4-oxidanyl-2-oxidanylidene-4-[5-(phenylmethyl)-2-propan-2-yloxy-phenyl]but-3-enoic acid

Systemtic Name: magnesium (Z)-4-oxidanyl-2-oxidanylidene-4-[5-(phenylmethyl)-2-propan-2-yloxy-phenyl]but-3-enoic acid Openeye Name: magnesium (Z)-4-(5-benzyl-2-isopropoxy-phenyl)-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: magnesium (Z)-4-hydroxy-2-oxo-4-[5-(phenylmethyl)-2-propan-2-yloxyphenyl]-3-butenoic acid IUPAC Name: magnesium (Z)-4-(5-benzyl-2-propan-2-yloxyphenyl)-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: magnesium (Z)-4-(5-benzyl-2-isopropoxy-phenyl)-4-hydroxy-2-keto-but-3-enoic acid Formula: C20H20MgO5+2 MolecularWeight: 364.6748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)CC2=CC=CC=C2)C(=CC(=O)C(=O)O)O.[Mg+2]

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)CC2=CC=CC=C2)/C(=C/C(=O)C(=O)O)/O.[Mg+2]

InChI

InChI=1S/C20H20O5.Mg/c1-13(2)25-19-9-8-15(10-14-6-4-3-5-7-14)11-16(19)17(21)12-18(22)20(23)24;/h3-9,11-13,21H,10H2,1-2H3,(H,23,24);/q;+2/b17-12-;