pentane-2,4-dione; phenyloxidanium; titanium(4+)

Systemtic Name: pentane-2,4-dione; phenyloxidanium; titanium(4+) Openeye Name: pentane-2,4-dione; phenyloxonium; titanium(4+) CAS Name: pentane-2,4-dione; phenyloxonium; titanium(4+) IUPAC Name: pentane-2,4-dione; phenyloxidanium; titanium(4+) Traditional Name: pentane-2,4-dione; phenyloxonium; titanium(4+) Formula: C22H28O6Ti+8 MolecularWeight: 436.32112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[CH+]C(=O)C.CC(=O)[CH+]C(=O)C.C1=CC=C(C=C1)[OH2+].C1=CC=C(C=C1)[OH2+].[Ti+4]

Isomeric SMILES

CC(=O)[CH+]C(=O)C.CC(=O)[CH+]C(=O)C.C1=CC=C(C=C1)[OH2+].C1=CC=C(C=C1)[OH2+].[Ti+4]

InChI

InChI=1S/2C6H6O.2C5H7O2.Ti/c2*7-6-4-2-1-3-5-6;2*1-4(6)3-5(2)7;/h2*1-5,7H;2*3H,1-2H3;/q;;2*+1;+4/p+2