2-chloranylethanoate; 1,10-phenanthrolin-10-ium

Systemtic Name: 2-chloranylethanoate; 1,10-phenanthrolin-10-ium Openeye Name: 2-chloroacetate; 1,10-phenanthrolin-10-ium CAS Name: 2-chloroacetate; 1,10-phenanthrolin-10-ium IUPAC Name: 2-chloroacetate; 1,10-phenanthrolin-10-ium Traditional Name: 2-chloroacetate; 1,10-phenanthrolin-10-ium Formula: C14H11ClN2O2 MolecularWeight: 274.70234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=C(C=CC=N3)C=C2)[NH+]=C1.C(C(=O)[O-])Cl

Isomeric SMILES

C1=CC2=C(C3=C(C=CC=N3)C=C2)[NH+]=C1.C(C(=O)[O-])Cl

InChI

InChI=1S/C12H8N2.C2H3ClO2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3-1-2(4)5/h1-8H;1H2,(H,4,5)