(Z)-(2-azanylethylamino)-[3,4-bis(oxidanylidene)pyran-2-ylidene]methanolate; gadolinium(3+)

Systemtic Name: (Z)-(2-azanylethylamino)-[3,4-bis(oxidanylidene)pyran-2-ylidene]methanolate; gadolinium(3+) Openeye Name: (Z)-(2-aminoethylamino)-(3,4-dioxopyran-2-ylidene)methanolate; gadolinium(3+) CAS Name: (Z)-(2-aminoethylamino)-(3,4-dioxo-2-pyranylidene)methanolate; gadolinium(3+) IUPAC Name: (Z)-(2-aminoethylamino)-(3,4-dioxopyran-2-ylidene)methanolate; gadolinium(3+) Traditional Name: (Z)-(2-aminoethylamino)-(3,4-diketopyran-2-ylidene)methanolate; gadolinium(3+) Formula: C24H27GdN6O12 MolecularWeight: 748.75418

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C(NCCN)[O-])C(=O)C1=O.C1=COC(=C(NCCN)[O-])C(=O)C1=O.C1=COC(=C(NCCN)[O-])C(=O)C1=O.[Gd+3]

Isomeric SMILES

C1=CO/C(=C(\[O-])/NCCN)/C(=O)C1=O.C1=CO/C(=C(\[O-])/NCCN)/C(=O)C1=O.C1=CO/C(=C(\[O-])/NCCN)/C(=O)C1=O.[Gd+3]

InChI

InChI=1S/3C8H10N2O4.Gd/c3*9-2-3-10-8(13)7-6(12)5(11)1-4-14-7;/h3*1,4,10,13H,2-3,9H2;/q;;;+3/p-3/b3*8-7-;