ditridecyl hydrogen phosphate; octane; oxidanylidenetitanium; dihydrate

Systemtic Name: ditridecyl hydrogen phosphate; octane; oxidanylidenetitanium; dihydrate Openeye Name: ditridecyl hydrogen phosphate; octane; oxotitanium; dihydrate CAS Name: ditridecyl hydrogen phosphate; octane; oxotitanium; dihydrate IUPAC Name: ditridecyl hydrogen phosphate; octane; oxotitanium; dihydrate Traditional Name: ditridecyl hydrogen phosphate; ketotitanium; octane; dihydrate Formula: C84H182O11P2Ti-4 MolecularWeight: 1478.151802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C26H55O4P.4C8H17.2H2O.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*1-3-5-7-8-6-4-2;;;;/h2*3-26H2,1-2H3,(H,27,28);4*1,3-8H2,2H3;2*1H2;;/q;;4*-1;;;;