4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; zinc; benzoate; nitrite

Systemtic Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; zinc; benzoate; nitrite Openeye Name: 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; zinc; benzoate; nitrite CAS Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; zinc; benzoate; nitrite IUPAC Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; zinc; benzoate; nitrite Traditional Name: 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; zinc; benzoate; nitrite Formula: C22H21NO6Zn-2 MolecularWeight: 460.81424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1=CC=C(C=C1)C(=O)[O-].N(=O)[O-].[Zn]

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1=CC=C(C=C1)C(=O)[O-].N(=O)[O-].[Zn]

InChI

InChI=1S/C15H16O2.C7H6O2.HNO2.Zn/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;8-7(9)6-4-2-1-3-5-6;2-1-3;/h3-10,16-17H,1-2H3;1-5H,(H,8,9);(H,2,3);/p-2