ethanone; [octoxy(oxidanyl)phosphoryl] octyl hydrogen phosphate; titanium; hydrate

Systemtic Name: ethanone; [octoxy(oxidanyl)phosphoryl] octyl hydrogen phosphate; titanium; hydrate Openeye Name: ethanone; [hydroxy(octoxy)phosphoryl] octyl hydrogen phosphate; titanium; hydrate CAS Name: ethanone; [hydroxy(octoxy)phosphoryl] octyl hydrogen phosphate; titanium; hydrate IUPAC Name: ethanone; [hydroxy(octoxy)phosphoryl] octyl hydrogen phosphate; titanium; hydrate Traditional Name: ethanone; [hydroxy(octoxy)phosphoryl] octyl hydrogen phosphate; titanium; hydrate Formula: C34H77O16P4Ti- MolecularWeight: 913.727624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOP(=O)(O)OP(=O)(O)OCCCCCCCC.CCCCCCCCOP(=O)(O)OP(=O)(O)OCCCCCCCC.C[C-]=O.O.[Ti]

Isomeric SMILES

CCCCCCCCOP(=O)(O)OP(=O)(O)OCCCCCCCC.CCCCCCCCOP(=O)(O)OP(=O)(O)OCCCCCCCC.C[C-]=O.O.[Ti]

InChI

InChI=1S/2C16H36O7P2.C2H3O.H2O.Ti/c2*1-3-5-7-9-11-13-15-21-24(17,18)23-25(19,20)22-16-14-12-10-8-6-4-2;1-2-3;;/h2*3-16H2,1-2H3,(H,17,18)(H,19,20);1H3;1H2;/q;;-1;;