trizinc ethane-1,2-diamine diphosphate

Systemtic Name: trizinc ethane-1,2-diamine diphosphate Openeye Name: trizinc ethane-1,2-diamine diphosphate CAS Name: trizinc ethane-1,2-diamine diphosphate IUPAC Name: trizinc ethane-1,2-diamine diphosphate Traditional Name: trizinc 2-aminoethylamine diphosphate Formula: C18H72N18O8P2Zn3 MolecularWeight: 927.054602

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Descriptors Computed from Structure

Canonical SMILES:

C(CN)N.C(CN)N.C(CN)N.C(CN)N.C(CN)N.C(CN)N.C(CN)N.C(CN)N.C(CN)N.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Zn+2].[Zn+2].[Zn+2]

Isomeric SMILES

C(CN)N.C(CN)N.C(CN)N.C(CN)N.C(CN)N.C(CN)N.C(CN)N.C(CN)N.C(CN)N.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Zn+2].[Zn+2].[Zn+2]

InChI

InChI=1S/9C2H8N2.2H3O4P.3Zn/c9*3-1-2-4;2*1-5(2,3)4;;;/h9*1-4H2;2*(H3,1,2,3,4);;;/q;;;;;;;;;;;3*+2/p-6