(2E,4E)-hexa-2,4-diene; (3E)-3-methylpenta-1,3-diene; propan-2-olate; titanium(4+)

Systemtic Name: (2E,4E)-hexa-2,4-diene; (3E)-3-methylpenta-1,3-diene; propan-2-olate; titanium(4+) Openeye Name: (2E,4E)-hexa-2,4-diene; (3E)-3-methylpenta-1,3-diene; propan-2-olate; titanium(4+) CAS Name: (2E,4E)-hexa-2,4-diene; (3E)-3-methylpenta-1,3-diene; 2-propanolate; titanium(4+) IUPAC Name: (2E,4E)-hexa-2,4-diene; (3E)-3-methylpenta-1,3-diene; propan-2-olate; titanium(4+) Traditional Name: (2E,4E)-hexa-2,4-diene; (3E)-3-methylpenta-1,3-diene; propan-2-olate; titanium(4+) Formula: C21H40O3Ti MolecularWeight: 388.4075

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H9.C6H10.3C3H7O.Ti/c1-4-6(3)5-2;1-3-5-6-4-2;3*1-3(2)4;/h1,4-5H,2-3H3;3-6H,1-2H3;3*3H,1-2H3;/q-1;;3*-1;+4/b6-5+;5-3+,6-4+;;;;