1-(4-methylphenyl)-2,2-bis(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanol hydrate

Systemtic Name: 1-(4-methylphenyl)-2,2-bis(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanol hydrate Openeye Name: 2,2-bis(5-phenyltetrazol-2-yl)-1-(p-tolyl)ethanol hydrate CAS Name: 1-(4-methylphenyl)-2,2-bis(5-phenyl-2-tetrazolyl)ethanol hydrate IUPAC Name: 1-(4-methylphenyl)-2,2-bis(5-phenyltetrazol-2-yl)ethanol hydrate Traditional Name: 2,2-bis(5-phenyltetrazol-2-yl)-1-(p-tolyl)ethanol hydrate Formula: C23H22N8O2 MolecularWeight: 442.47318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(N2N=C(N=N2)C3=CC=CC=C3)N4N=C(N=N4)C5=CC=CC=C5)O.O

Isomeric SMILES

CC1=CC=C(C=C1)C(C(N2N=C(N=N2)C3=CC=CC=C3)N4N=C(N=N4)C5=CC=CC=C5)O.O

InChI

InChI=1S/C23H20N8O.H2O/c1-16-12-14-17(15-13-16)20(32)23(30-26-21(24-28-30)18-8-4-2-5-9-18)31-27-22(25-29-31)19-10-6-3-7-11-19;/h2-15,20,23,32H,1H3;1H2