cyclopenta-1,4-dien-1-ylmethylbenzene; 1-methyl-3-[(3-methylphenyl)methyl]benzene; titanium(2+)

Systemtic Name: cyclopenta-1,4-dien-1-ylmethylbenzene; 1-methyl-3-[(3-methylphenyl)methyl]benzene; titanium(2+) Openeye Name: cyclopenta-1,4-dien-1-ylmethylbenzene; 1-methyl-3-(m-tolylmethyl)benzene; titanium(2+) CAS Name: 1-cyclopenta-1,4-dienylmethylbenzene; 1-methyl-3-[(3-methylphenyl)methyl]benzene; titanium(2+) IUPAC Name: cyclopenta-1,4-dien-1-ylmethylbenzene; 1-methyl-3-[(3-methylphenyl)methyl]benzene; titanium(2+) Traditional Name: cyclopenta-1,4-dien-1-ylmethylbenzene; 1-methyl-3-(m-tolylmethyl)benzene; titanium(2+) Formula: C27H26Ti MolecularWeight: 398.36234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)[CH-]C2=CC(=CC=C2)C.C1C=CC(=[C-]1)CC2=CC=CC=C2.[Ti+2]

Isomeric SMILES

CC1=CC=CC(=C1)[CH-]C2=CC(=CC=C2)C.C1C=CC(=[C-]1)CC2=CC=CC=C2.[Ti+2]

InChI

InChI=1S/C15H15.C12H11.Ti/c1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15;1-2-6-11(7-3-1)10-12-8-4-5-9-12;/h3-11H,1-2H3;1-4,6-8H,5,10H2;/q2*-1;+2