3,3-bis(prop-2-enoxy)pentane; ditridecyl hydrogen phosphate; oxidanylidenetitanium; dihydrate

Systemtic Name: 3,3-bis(prop-2-enoxy)pentane; ditridecyl hydrogen phosphate; oxidanylidenetitanium; dihydrate Openeye Name: 3,3-diallyloxypentane; ditridecyl hydrogen phosphate; oxotitanium; dihydrate CAS Name: 3,3-bis(prop-2-enoxy)pentane; ditridecyl hydrogen phosphate; oxotitanium; dihydrate IUPAC Name: 3,3-bis(prop-2-enoxy)pentane; ditridecyl hydrogen phosphate; oxotitanium; dihydrate Traditional Name: 3,3-diallyloxypentane; ditridecyl hydrogen phosphate; ketotitanium; dihydrate Formula: C96H190O19P2Ti-4 MolecularWeight: 1758.338922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCC.CCC([CH-]C)(OCC=C)OCC=C.CCC([CH-]C)(OCC=C)OCC=C.CCC([CH-]C)(OCC=C)OCC=C.CCC([CH-]C)(OCC=C)OCC=C.O.O.O=[Ti]

Isomeric SMILES

CCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCC.CCC([CH-]C)(OCC=C)OCC=C.CCC([CH-]C)(OCC=C)OCC=C.CCC([CH-]C)(OCC=C)OCC=C.CCC([CH-]C)(OCC=C)OCC=C.O.O.O=[Ti]

InChI

InChI=1S/2C26H55O4P.4C11H19O2.2H2O.O.Ti/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-29-31(27,28)30-26-24-22-20-18-16-14-12-10-8-6-4-2;4*1-5-9-12-11(7-3,8-4)13-10-6-2;;;;/h2*3-26H2,1-2H3,(H,27,28);4*5-7H,1-2,8-10H2,3-4H3;2*1H2;;/q;;4*-1;;;;