magnesium 2,2-bis[5-(phenylmethoxymethyl)-1,2,3,4-tetrazol-1-yl]ethanoate

Systemtic Name: magnesium 2,2-bis[5-(phenylmethoxymethyl)-1,2,3,4-tetrazol-1-yl]ethanoate Openeye Name: magnesium 2,2-bis[5-(benzyloxymethyl)tetrazol-1-yl]acetate CAS Name: magnesium 2,2-bis[5-(phenylmethoxymethyl)-1-tetrazolyl]acetate IUPAC Name: magnesium 2,2-bis[5-(phenylmethoxymethyl)tetrazol-1-yl]acetate Traditional Name: magnesium 2,2-bis[5-(benzoxymethyl)tetrazol-1-yl]acetate Formula: C40H38MgN16O8 MolecularWeight: 895.13712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=NN=NN2C(C(=O)[O-])N3C(=NN=N3)COCC4=CC=CC=C4.C1=CC=C(C=C1)COCC2=NN=NN2C(C(=O)[O-])N3C(=NN=N3)COCC4=CC=CC=C4.[Mg+2]

Isomeric SMILES

C1=CC=C(C=C1)COCC2=NN=NN2C(C(=O)[O-])N3C(=NN=N3)COCC4=CC=CC=C4.C1=CC=C(C=C1)COCC2=NN=NN2C(C(=O)[O-])N3C(=NN=N3)COCC4=CC=CC=C4.[Mg+2]

InChI

InChI=1S/2C20H20N8O4.Mg/c2*29-20(30)19(27-17(21-23-25-27)13-31-11-15-7-3-1-4-8-15)28-18(22-24-26-28)14-32-12-16-9-5-2-6-10-16;/h2*1-10,19H,11-14H2,(H,29,30);/q;;+2/p-2