[oxidanyl(phosphonato)methyl]-prop-1-en-2-yloxy-phosphinate; titanium(4+)

Systemtic Name: [oxidanyl(phosphonato)methyl]-prop-1-en-2-yloxy-phosphinate; titanium(4+) Openeye Name: [hydroxy(phosphonato)methyl]-isopropenyloxy-phosphinate; titanium(4+) CAS Name: [hydroxy(phosphonato)methyl]-(1-methylethenoxy)phosphinate; titanium(4+) IUPAC Name: [hydroxy(phosphonato)methyl]-prop-1-en-2-yloxyphosphinate; titanium(4+) Traditional Name: [hydroxy(phosphonato)methyl]-isopropenyloxy-phosphinate; titanium(4+) Formula: C16H28O28P8Ti3 MolecularWeight: 1059.767808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)OP(=O)(C(O)P(=O)([O-])[O-])[O-].CC(=C)OP(=O)(C(O)P(=O)([O-])[O-])[O-].CC(=C)OP(=O)(C(O)P(=O)([O-])[O-])[O-].CC(=C)OP(=O)(C(O)P(=O)([O-])[O-])[O-].[Ti+4].[Ti+4].[Ti+4]

Isomeric SMILES

CC(=C)OP(=O)(C(O)P(=O)([O-])[O-])[O-].CC(=C)OP(=O)(C(O)P(=O)([O-])[O-])[O-].CC(=C)OP(=O)(C(O)P(=O)([O-])[O-])[O-].CC(=C)OP(=O)(C(O)P(=O)([O-])[O-])[O-].[Ti+4].[Ti+4].[Ti+4]

InChI

InChI=1S/4C4H10O7P2.3Ti/c4*1-3(2)11-13(9,10)4(5)12(6,7)8;;;/h4*4-5H,1H2,2H3,(H,9,10)(H2,6,7,8);;;/q;;;;3*+4/p-12