2-azido-3-phenylmethoxy-propanoate; barium(2+)

Systemtic Name: 2-azido-3-phenylmethoxy-propanoate; barium(2+) Openeye Name: 2-azido-3-benzyloxy-propanoate; barium(2+) CAS Name: 2-azido-3-phenylmethoxypropanoate; barium(2+) IUPAC Name: 2-azido-3-phenylmethoxypropanoate; barium(2+) Traditional Name: 2-azido-3-benzoxy-propionate; barium(2+) Formula: C20H20BaN6O6 MolecularWeight: 577.7364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(C(=O)[O-])N=[N+]=[N-].C1=CC=C(C=C1)COCC(C(=O)[O-])N=[N+]=[N-].[Ba+2]

Isomeric SMILES

C1=CC=C(C=C1)COCC(C(=O)[O-])N=[N+]=[N-].C1=CC=C(C=C1)COCC(C(=O)[O-])N=[N+]=[N-].[Ba+2]

InChI

InChI=1S/2C10H11N3O3.Ba/c2*11-13-12-9(10(14)15)7-16-6-8-4-2-1-3-5-8;/h2*1-5,9H,6-7H2,(H,14,15);/q;;+2/p-2