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magnesium; 1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3,5-dimethyl-pyridin-2-yl)ethanone; methylsulfinylmethane; hydrate

magnesium; 1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3,5-dimethyl-pyridin-2-yl)ethanone; methylsulfinylmethane; hydrate

Systemtic Name:magnesium; 1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3,5-dimethyl-pyridin-2-yl)ethanone; methylsulfinylmethane; hydrate
Openeye Name:magnesium; 1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridyl)ethanone; methylsulfinylmethane; hydrate
CAS Name:magnesium; 1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone; methylsulfinylmethane; hydrate
IUPAC Name:magnesium; 1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3,5-dimethylpyridin-2-yl)ethanone; methylsulfinylmethane; hydrate
Traditional Name:magnesium; 1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridyl)ethanone; methylsulfinylmethane; hydrate
Formula: C38H46MgN6O8S
MolecularWeight: 771.17724
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CC(=O)C2=NC3=C(N2)C=C(C=C3)OC.CC1=CN=C(C(=C1OC)C)CC(=O)C2=NC3=C(N2)C=C(C=C3)OC.CS(=O)C.O.[Mg]


Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CC(=O)C2=NC3=C(N2)C=C(C=C3)OC.CC1=CN=C(C(=C1OC)C)CC(=O)C2=NC3=C(N2)C=C(C=C3)OC.CS(=O)C.O.[Mg]


InChI

InChI=1S/2C18H19N3O3.C2H6OS.Mg.H2O/c2*1-10-9-19-14(11(2)17(10)24-4)8-16(22)18-20-13-6-5-12(23-3)7-15(13)21-18;1-4(2)3;;/h2*5-7,9H,8H2,1-4H3,(H,20,21);1-2H3;;1H2


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