ditridecyl hydrogen phosphite; heptane; oxidanylidenetitanium; dihydrate

Systemtic Name: ditridecyl hydrogen phosphite; heptane; oxidanylidenetitanium; dihydrate Openeye Name: ditridecyl hydrogen phosphite; heptane; oxotitanium; dihydrate CAS Name: ditridecyl hydrogen phosphite; heptane; oxotitanium; dihydrate IUPAC Name: ditridecyl hydrogen phosphite; heptane; oxotitanium; dihydrate Traditional Name: ditridecyl hydrogen phosphite; heptane; ketotitanium; dihydrate Formula: C80H174O9P2Ti-4 MolecularWeight: 1390.046682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[CH2-].CCCCCC[CH2-].CCCCCC[CH2-].CCCCCC[CH2-].CCCCCCCCCCCCCOP(O)OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP(O)OCCCCCCCCCCCCC.O.O.O=[Ti]

Isomeric SMILES

CCCCCC[CH2-].CCCCCC[CH2-].CCCCCC[CH2-].CCCCCC[CH2-].CCCCCCCCCCCCCOP(O)OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP(O)OCCCCCCCCCCCCC.O.O.O=[Ti]

InChI

InChI=1S/2C26H55O3P.4C7H15.2H2O.O.Ti/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-28-30(27)29-26-24-22-20-18-16-14-12-10-8-6-4-2;4*1-3-5-7-6-4-2;;;;/h2*27H,3-26H2,1-2H3;4*1,3-7H2,2H3;2*1H2;;/q;;4*-1;;;;