benzene; dibutyl hydrogen phosphite; oxidanylidenetitanium; dihydrate

Systemtic Name: benzene; dibutyl hydrogen phosphite; oxidanylidenetitanium; dihydrate Openeye Name: benzene; dibutyl hydrogen phosphite; oxotitanium; dihydrate CAS Name: benzene; dibutyl hydrogen phosphite; oxotitanium; dihydrate IUPAC Name: benzene; dibutyl hydrogen phosphite; oxotitanium; dihydrate Traditional Name: benzene; dibutyl hydrogen phosphite; ketotitanium; dihydrate Formula: C40H62O9P2Ti-4 MolecularWeight: 796.729402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(O)OCCCC.CCCCOP(O)OCCCC.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.O.O.O=[Ti]

Isomeric SMILES

CCCCOP(O)OCCCC.CCCCOP(O)OCCCC.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.O.O.O=[Ti]

InChI

InChI=1S/2C8H19O3P.4C6H5.2H2O.O.Ti/c2*1-3-5-7-10-12(9)11-8-6-4-2;4*1-2-4-6-5-3-1;;;;/h2*9H,3-8H2,1-2H3;4*1-5H;2*1H2;;/q;;4*-1;;;;