zinc 3H-1,2-benzoxazole-2-carboxylic acid diphenoxide

Systemtic Name: zinc 3H-1,2-benzoxazole-2-carboxylic acid diphenoxide Openeye Name: zinc 3H-1,2-benzoxazole-2-carboxylic acid diphenoxide CAS Name: zinc 3H-1,2-benzoxazole-2-carboxylic acid diphenoxide IUPAC Name: zinc 3H-1,2-benzoxazole-2-carboxylic acid diphenoxide Traditional Name: zinc 3H-indoxazene-2-carboxylic acid diphenoxide Formula: C28H24N2O8Zn MolecularWeight: 581.90776

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2ON1C(=O)O.C1C2=CC=CC=C2ON1C(=O)O.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Zn+2]

Isomeric SMILES

C1C2=CC=CC=C2ON1C(=O)O.C1C2=CC=CC=C2ON1C(=O)O.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Zn+2]

InChI

InChI=1S/2C8H7NO3.2C6H6O.Zn/c2*10-8(11)9-5-6-3-1-2-4-7(6)12-9;2*7-6-4-2-1-3-5-6;/h2*1-4H,5H2,(H,10,11);2*1-5,7H;/q;;;;+2/p-2