dioctyl hydrogen phosphate; propan-2-olate; titanium(4+)

Systemtic Name: dioctyl hydrogen phosphate; propan-2-olate; titanium(4+) Openeye Name: dioctyl hydrogen phosphate; propan-2-olate; titanium(4+) CAS Name: dioctyl hydrogen phosphate; 2-propanolate; titanium(4+) IUPAC Name: dioctyl hydrogen phosphate; propan-2-olate; titanium(4+) Traditional Name: dioctyl hydrogen phosphate; propan-2-olate; titanium(4+) Formula: C60H133O16P3Ti MolecularWeight: 1251.476703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C16H35O4P.4C3H7O.Ti/c3*1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2;4*1-3(2)4;/h3*3-16H2,1-2H3,(H,17,18);4*3H,1-2H3;/q;;;4*-1;+4