5-methyl-2-propan-2-yl-phenol; 1H-1,2,3,4-tetrazol-1-ium; chloride

Systemtic Name: 5-methyl-2-propan-2-yl-phenol; 1H-1,2,3,4-tetrazol-1-ium; chloride Openeye Name: 2-isopropyl-5-methyl-phenol; 1H-tetrazol-1-ium; chloride CAS Name: 5-methyl-2-propan-2-ylphenol; 1H-tetrazol-1-ium; chloride IUPAC Name: 5-methyl-2-propan-2-ylphenol; 1H-tetrazol-1-ium; chloride Traditional Name: 1H-tetrazol-1-ium; thymol; chloride Formula: C11H17ClN4O MolecularWeight: 256.73188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)O.C1=NN=N[NH2+]1.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)O.C1=NN=N[NH2+]1.[Cl-]

InChI

InChI=1S/C10H14O.CH2N4.ClH/c1-7(2)9-5-4-8(3)6-10(9)11;1-2-4-5-3-1;/h4-7,11H,1-3H3;1H,(H,2,3,4,5);1H