carbanide; methane; 4-(3-methylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; titanium(2+); diphenoxide

Systemtic Name: carbanide; methane; 4-(3-methylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; titanium(2+); diphenoxide Openeye Name: carbanide; methane; 4-(3-methylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; titanium(2+); diphenoxide CAS Name: carbanide; methane; 4-(3-methyl-1-cyclopenta-1,3-dienyl)-2-phenylphenol; titanium(2+); diphenoxide IUPAC Name: carbanide; methane; 4-(3-methylcyclopenta-1,3-dien-1-yl)-2-phenylphenol; titanium(2+); diphenoxide Traditional Name: carbanide; methane; 4-(3-methylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; titanium(2+); diphenoxide Formula: C33H36O3Ti-2 MolecularWeight: 528.50414

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Descriptors Computed from Structure

Canonical SMILES:

C.[CH3-].[CH3-].CC1=CCC(=C1)C2=CC(=C(C=C2)O)C3=CC=CC=C3.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+2]

Isomeric SMILES

C.[CH3-].[CH3-].CC1=CCC(=C1)C2=CC(=C(C=C2)O)C3=CC=CC=C3.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+2]

InChI

InChI=1S/C18H16O.2C6H6O.CH4.2CH3.Ti/c1-13-7-8-15(11-13)16-9-10-18(19)17(12-16)14-5-3-2-4-6-14;2*7-6-4-2-1-3-5-6;;;;/h2-7,9-12,19H,8H2,1H3;2*1-5,7H;1H4;2*1H3;/q;;;;2*-1;+2/p-2