2-(2-methylpropyl)-3-(1-methyl-1,2,3,4-tetrazol-5-yl)hex-5-enoic acid

Systemtic Name: 2-(2-methylpropyl)-3-(1-methyl-1,2,3,4-tetrazol-5-yl)hex-5-enoic acid Openeye Name: 2-isobutyl-3-(1-methyltetrazol-5-yl)hex-5-enoic acid CAS Name: 2-(2-methylpropyl)-3-(1-methyl-5-tetrazolyl)-5-hexenoic acid IUPAC Name: 2-(2-methylpropyl)-3-(1-methyltetrazol-5-yl)hex-5-enoic acid Traditional Name: 2-isobutyl-3-(1-methyltetrazol-5-yl)hex-5-enoic acid Formula: C12H20N4O2 MolecularWeight: 252.3128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=C)C1=NN=NN1C)C(=O)O

Isomeric SMILES

CC(C)CC(C(CC=C)C1=NN=NN1C)C(=O)O

InChI

InChI=1S/C12H20N4O2/c1-5-6-9(11-13-14-15-16(11)4)10(12(17)18)7-8(2)3/h5,8-10H,1,6-7H2,2-4H3,(H,17,18)