dioctyl hydrogen phosphate; oxidanylidenetitanium; propane; dihydrate

Systemtic Name: dioctyl hydrogen phosphate; oxidanylidenetitanium; propane; dihydrate Openeye Name: dioctyl hydrogen phosphate; oxotitanium; propane; dihydrate CAS Name: dioctyl hydrogen phosphate; oxotitanium; propane; dihydrate IUPAC Name: dioctyl hydrogen phosphate; oxotitanium; propane; dihydrate Traditional Name: dioctyl hydrogen phosphate; ketotitanium; propane; dihydrate Formula: C44H102O11P2Ti-4 MolecularWeight: 917.088602

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Descriptors Computed from Structure

Canonical SMILES:

CC[CH2-].CC[CH2-].CC[CH2-].CC[CH2-].CCCCCCCCOP(=O)(O)OCCCCCCCC.CCCCCCCCOP(=O)(O)OCCCCCCCC.O.O.O=[Ti]

Isomeric SMILES

CC[CH2-].CC[CH2-].CC[CH2-].CC[CH2-].CCCCCCCCOP(=O)(O)OCCCCCCCC.CCCCCCCCOP(=O)(O)OCCCCCCCC.O.O.O=[Ti]

InChI

InChI=1S/2C16H35O4P.4C3H7.2H2O.O.Ti/c2*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;;;;/h2*3-16H2,1-2H3,(H,17,18);4*1,3H2,2H3;2*1H2;;/q;;4*-1;;;;