butanoate; propan-2-olate; titanium(4+)

Systemtic Name: butanoate; propan-2-olate; titanium(4+) Openeye Name: butanoate; propan-2-olate; titanium(4+) CAS Name: butanoate; 2-propanolate; titanium(4+) IUPAC Name: butanoate; propan-2-olate; titanium(4+) Traditional Name: butyrate; propan-2-olate; titanium(4+) Formula: C44H84O20Ti3 MolecularWeight: 1076.72676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/8C4H8O2.4C3H7O.3Ti/c8*1-2-3-4(5)6;4*1-3(2)4;;;/h8*2-3H2,1H3,(H,5,6);4*3H,1-2H3;;;/q;;;;;;;;4*-1;3*+4/p-8