5-methyl-4-[oxidanyl(phenyl)methyl]-2-phenyl-1,3-dihydropyrazol-3-ol; oxidanylidenetitanium(2+)

Systemtic Name: 5-methyl-4-[oxidanyl(phenyl)methyl]-2-phenyl-1,3-dihydropyrazol-3-ol; oxidanylidenetitanium(2+) Openeye Name: 4-[hydroxy(phenyl)methyl]-5-methyl-2-phenyl-1,3-dihydropyrazol-3-ol; oxotitanium(2+) CAS Name: 4-[hydroxy(phenyl)methyl]-5-methyl-2-phenyl-1,3-dihydropyrazol-3-ol; oxotitanium(2+) IUPAC Name: 4-[hydroxy(phenyl)methyl]-5-methyl-2-phenyl-1,3-dihydropyrazol-3-ol; oxotitanium(2+) Traditional Name: 4-[hydroxy(phenyl)methyl]-5-methyl-2-phenyl-3-pyrazolin-3-ol; ketotitanium(2+) Formula: C34H36N4O5Ti+2 MolecularWeight: 628.54044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(N1)C2=CC=CC=C2)O)C(C3=CC=CC=C3)O.CC1=C(C(N(N1)C2=CC=CC=C2)O)C(C3=CC=CC=C3)O.O=[Ti+2]

Isomeric SMILES

CC1=C(C(N(N1)C2=CC=CC=C2)O)C(C3=CC=CC=C3)O.CC1=C(C(N(N1)C2=CC=CC=C2)O)C(C3=CC=CC=C3)O.O=[Ti+2]

InChI

InChI=1S/2C17H18N2O2.O.Ti/c2*1-12-15(16(20)13-8-4-2-5-9-13)17(21)19(18-12)14-10-6-3-7-11-14;;/h2*2-11,16-18,20-21H,1H3;;/q;;;+2