(3S)-3-phenyl-3-(1,2,3,4-tetrazol-1-yl)propanoate

Systemtic Name: (3S)-3-phenyl-3-(1,2,3,4-tetrazol-1-yl)propanoate Openeye Name: (3S)-3-phenyl-3-(tetrazol-1-yl)propanoate CAS Name: (3S)-3-phenyl-3-(1-tetrazolyl)propanoate IUPAC Name: (3S)-3-phenyl-3-(tetrazol-1-yl)propanoate Traditional Name: (3S)-3-phenyl-3-(tetrazol-1-yl)propionate Formula: C10H9N4O2- MolecularWeight: 217.20406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)[O-])N2C=NN=N2

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)[O-])N2C=NN=N2

InChI

InChI=1S/C10H10N4O2/c15-10(16)6-9(14-7-11-12-13-14)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,15,16)/p-1/t9-/m0/s1