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

Systemtic Name: cyclopenta-1,3-diene; (2E,4E)-hexa-2,4-diene; propan-2-olate; titanium(4+) Openeye Name: cyclopenta-1,3-diene; (2E,4E)-hexa-2,4-diene; propan-2-olate; titanium(4+) CAS Name: cyclopenta-1,3-diene; (2E,4E)-hexa-2,4-diene; 2-propanolate; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; (2E,4E)-hexa-2,4-diene; propan-2-olate; titanium(4+) Traditional Name: cyclopenta-1,3-diene; (2E,4E)-hexa-2,4-diene; propan-2-olate; titanium(4+) Formula: C20H36O3Ti MolecularWeight: 372.36504

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC.CC(C)[O-].CC(C)[O-].CC(C)[O-].C1C=CC=[C-]1.[Ti+4]

Isomeric SMILES

C/C=C/C=C/C.CC([O-])C.CC([O-])C.CC([O-])C.C1[C-]=CC=C1.[Ti+4]

InChI

InChI=1S/C6H10.C5H5.3C3H7O.Ti/c1-3-5-6-4-2;1-2-4-5-3-1;3*1-3(2)4;/h3-6H,1-2H3;1-3H,4H2;3*3H,1-2H3;/q;4*-1;+4/b5-3+,6-4+;;;;;