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

Systemtic Name: 2-tert-butyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; carbanide; methane; titanium(2+); diphenoxide Openeye Name: 2-tert-butyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; carbanide; methane; titanium(2+); diphenoxide CAS Name: 2-tert-butyl-4-(3-methyl-1-cyclopenta-1,3-dienyl)phenol; carbanide; methane; titanium(2+); diphenoxide IUPAC Name: 2-tert-butyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; carbanide; methane; titanium(2+); diphenoxide Traditional Name: 2-tert-butyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; carbanide; methane; titanium(2+); diphenoxide Formula: C31H40O3Ti-2 MolecularWeight: 508.5145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C16H20O.2C6H6O.CH4.2CH3.Ti/c1-11-5-6-12(9-11)13-7-8-15(17)14(10-13)16(2,3)4;2*7-6-4-2-1-3-5-6;;;;/h5,7-10,17H,6H2,1-4H3;2*1-5,7H;1H4;2*1H3;/q;;;;2*-1;+2/p-2