6,6-dibutyl-5-ethyl-decan-5-olate; titanium(4+)

Systemtic Name: 6,6-dibutyl-5-ethyl-decan-5-olate; titanium(4+) Openeye Name: 6,6-dibutyl-5-ethyl-decan-5-olate; titanium(4+) CAS Name: 6,6-dibutyl-5-ethyl-5-decanolate; titanium(4+) IUPAC Name: 6,6-dibutyl-5-ethyldecan-5-olate; titanium(4+) Traditional Name: 6,6-dibutyl-5-ethyl-decan-5-olate; titanium(4+) Formula: C80H164O4Ti MolecularWeight: 1238.02276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C20H41O.Ti/c4*1-6-11-15-19(16-12-7-2,17-13-8-3)20(21,10-5)18-14-9-4;/h4*6-18H2,1-5H3;/q4*-1;+4