7-oxidanylidenecyclohepta-1,3,5-trien-1-olate; propan-2-olate; titanium(4+)

Systemtic Name: 7-oxidanylidenecyclohepta-1,3,5-trien-1-olate; propan-2-olate; titanium(4+) Openeye Name: 7-oxocyclohepta-1,3,5-trien-1-olate; propan-2-olate; titanium(4+) CAS Name: 7-oxo-1-cyclohepta-1,3,5-trienolate; 2-propanolate; titanium(4+) IUPAC Name: 7-oxocyclohepta-1,3,5-trien-1-olate; propan-2-olate; titanium(4+) Traditional Name: 7-ketocyclohepta-1,3,5-trien-1-olate; propan-2-olate; titanium(4+) Formula: C20H24O6Ti MolecularWeight: 408.26796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H6O2.2C3H7O.Ti/c2*8-6-4-2-1-3-5-7(6)9;2*1-3(2)4;/h2*1-5H,(H,8,9);2*3H,1-2H3;/q;;2*-1;+4/p-2