[3-(3-carboxylato-2-oxidanylidene-chromen-8-yl)-2-methoxy-propyl]mercury; 1,3-dimethyl-7H-purin-9-ium-2,6-dione; hydrate

Systemtic Name: [3-(3-carboxylato-2-oxidanylidene-chromen-8-yl)-2-methoxy-propyl]mercury; 1,3-dimethyl-7H-purin-9-ium-2,6-dione; hydrate Openeye Name: [3-(3-carboxylato-2-oxo-chromen-8-yl)-2-methoxy-propyl]mercury; 1,3-dimethyl-7H-purin-9-ium-2,6-dione; hydrate CAS Name: [3-(3-carboxylato-2-oxo-1-benzopyran-8-yl)-2-methoxypropyl]mercury; 1,3-dimethyl-7H-purin-9-ium-2,6-dione; hydrate IUPAC Name: [3-(3-carboxylato-2-oxochromen-8-yl)-2-methoxypropyl]mercury; 1,3-dimethyl-7H-purin-9-ium-2,6-dione; hydrate Traditional Name: [3-(3-carboxylato-2-keto-chromen-8-yl)-2-methoxy-propyl]mercury; 1,3-dimethyl-7H-purin-9-ium-2,6-quinone; hydrate Formula: C21H23HgN4O8 MolecularWeight: 660.01932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC=[NH+]2.COC(CC1=CC=CC2=C1OC(=O)C(=C2)C(=O)[O-])C[Hg].O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC=[NH+]2.COC(CC1=CC=CC2=C1OC(=O)C(=C2)C(=O)[O-])C[Hg].O

InChI

InChI=1S/C14H13O5.C7H8N4O2.Hg.H2O/c1-8(18-2)6-9-4-3-5-10-7-11(13(15)16)14(17)19-12(9)10;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;;/h3-5,7-8H,1,6H2,2H3,(H,15,16);3H,1-2H3,(H,8,9);;1H2