5,5-dimethylcyclohexa-1,3-diene; (3E)-3-methylpenta-1,3-diene; 2-methylpropan-2-olate; titanium(4+)

Systemtic Name: 5,5-dimethylcyclohexa-1,3-diene; (3E)-3-methylpenta-1,3-diene; 2-methylpropan-2-olate; titanium(4+) Openeye Name: 5,5-dimethylcyclohexa-1,3-diene; (3E)-3-methylpenta-1,3-diene; 2-methylpropan-2-olate; titanium(4+) CAS Name: 5,5-dimethylcyclohexa-1,3-diene; (3E)-3-methylpenta-1,3-diene; 2-methyl-2-propanolate; titanium(4+) IUPAC Name: 5,5-dimethylcyclohexa-1,3-diene; (3E)-3-methylpenta-1,3-diene; 2-methylpropan-2-olate; titanium(4+) Traditional Name: 5,5-dimethylcyclohexa-1,3-diene; (3E)-3-methylpenta-1,3-diene; 2-methylpropan-2-olate; titanium(4+) Formula: C26H48O3Ti MolecularWeight: 456.52452

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C=C.CC1(CC=CC=[C-]1)C.CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Ti+4]

Isomeric SMILES

C/C=C(\C)/C=C.CC1(CC=CC=[C-]1)C.CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Ti+4]

InChI

InChI=1S/C8H11.C6H10.3C4H9O.Ti/c1-8(2)6-4-3-5-7-8;1-4-6(3)5-2;3*1-4(2,3)5;/h3-5H,6H2,1-2H3;4-5H,1H2,2-3H3;3*1-3H3;/q-1;;3*-1;+4/b;6-5+;;;;