gadolinium(3+); 3-[(2,3,4,5-tetraethanoylphenyl)methoxy]propanoate

Systemtic Name: gadolinium(3+); 3-[(2,3,4,5-tetraethanoylphenyl)methoxy]propanoate Openeye Name: gadolinium(3+); 3-[(2,3,4,5-tetraacetylphenyl)methoxy]propanoate CAS Name: gadolinium(3+); 3-[(2,3,4,5-tetraacetylphenyl)methoxy]propanoate IUPAC Name: gadolinium(3+); 3-[(2,3,4,5-tetraacetylphenyl)methoxy]propanoate Traditional Name: gadolinium(3+); 3-(2,3,4,5-tetraacetylbenzyl)oxypropionate Formula: C54H57GdO21 MolecularWeight: 1199.26778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C(=C1C(=O)C)C(=O)C)C(=O)C)COCCC(=O)[O-].CC(=O)C1=CC(=C(C(=C1C(=O)C)C(=O)C)C(=O)C)COCCC(=O)[O-].CC(=O)C1=CC(=C(C(=C1C(=O)C)C(=O)C)C(=O)C)COCCC(=O)[O-].[Gd+3]

Isomeric SMILES

CC(=O)C1=CC(=C(C(=C1C(=O)C)C(=O)C)C(=O)C)COCCC(=O)[O-].CC(=O)C1=CC(=C(C(=C1C(=O)C)C(=O)C)C(=O)C)COCCC(=O)[O-].CC(=O)C1=CC(=C(C(=C1C(=O)C)C(=O)C)C(=O)C)COCCC(=O)[O-].[Gd+3]

InChI

InChI=1S/3C18H20O7.Gd/c3*1-9(19)14-7-13(8-25-6-5-15(23)24)16(10(2)20)18(12(4)22)17(14)11(3)21;/h3*7H,5-6,8H2,1-4H3,(H,23,24);/q;;;+3/p-3