2-tert-butyl-5-(3-tert-butyl-4-methyl-phenyl)-1,2,3,4-tetrazole; propanoic acid

Systemtic Name: 2-tert-butyl-5-(3-tert-butyl-4-methyl-phenyl)-1,2,3,4-tetrazole; propanoic acid Openeye Name: 2-tert-butyl-5-(3-tert-butyl-4-methyl-phenyl)tetrazole; propionic acid CAS Name: 2-tert-butyl-5-(3-tert-butyl-4-methylphenyl)tetrazole; propanoic acid IUPAC Name: 2-tert-butyl-5-(3-tert-butyl-4-methylphenyl)tetrazole; propanoic acid Traditional Name: 2-tert-butyl-5-(3-tert-butyl-4-methyl-phenyl)tetrazole; propionic acid Formula: C19H30N4O2 MolecularWeight: 346.4671

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)O.CC1=C(C=C(C=C1)C2=NN(N=N2)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCC(=O)O.CC1=C(C=C(C=C1)C2=NN(N=N2)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C16H24N4.C3H6O2/c1-11-8-9-12(10-13(11)15(2,3)4)14-17-19-20(18-14)16(5,6)7;1-2-3(4)5/h8-10H,1-7H3;2H2,1H3,(H,4,5)