didodecyl hydrogen phosphate; oxidanylidenetitanium; propane; dihydrate

Systemtic Name: didodecyl hydrogen phosphate; oxidanylidenetitanium; propane; dihydrate Openeye Name: didodecyl hydrogen phosphate; oxotitanium; propane; dihydrate CAS Name: didodecyl hydrogen phosphate; oxotitanium; propane; dihydrate IUPAC Name: didodecyl hydrogen phosphate; oxotitanium; propane; dihydrate Traditional Name: dilauryl hydrogen phosphate; ketotitanium; propane; dihydrate Formula: C60H134O11P2Ti-4 MolecularWeight: 1141.513882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC.CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.O.O.O=[Ti]

Isomeric SMILES

CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC.CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.O.O.O=[Ti]

InChI

InChI=1S/2C24H51O4P.4C3H7.2H2O.O.Ti/c2*1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2;4*1-3-2;;;;/h2*3-24H2,1-2H3,(H,25,26);4*3H,1-2H3;2*1H2;;/q;;4*-1;;;;