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

Systemtic Name: (3S)-3-phenyl-4-(1,2,3,4-tetrazol-1-yl)butanoate Openeye Name: (3S)-3-phenyl-4-(tetrazol-1-yl)butanoate CAS Name: (3S)-3-phenyl-4-(1-tetrazolyl)butanoate IUPAC Name: (3S)-3-phenyl-4-(tetrazol-1-yl)butanoate Traditional Name: (3S)-3-phenyl-4-(tetrazol-1-yl)butyrate Formula: C11H11N4O2- MolecularWeight: 231.23064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)[O-])CN2C=NN=N2

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)[O-])CN2C=NN=N2

InChI

InChI=1S/C11H12N4O2/c16-11(17)6-10(7-15-8-12-13-14-15)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,16,17)/p-1/t10-/m1/s1