[oxidanyl(phosphonato)methyl]-phenoxy-phosphinate; tin(4+)

Systemtic Name: [oxidanyl(phosphonato)methyl]-phenoxy-phosphinate; tin(4+) Openeye Name: tristannic [hydroxy(phosphonato)methyl]-phenoxy-phosphinate CAS Name: [hydroxy(phosphonato)methyl]-phenoxyphosphinate; tin(4+) IUPAC Name: [hydroxy(phosphonato)methyl]-phenoxyphosphinate; tin(4+) Traditional Name: tristannic [hydroxy(phosphonato)methyl]-phenoxy-phosphinate Formula: C28H28O28P8Sn3 MolecularWeight: 1416.425208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].[Sn+4].[Sn+4].[Sn+4]

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].[Sn+4].[Sn+4].[Sn+4]

InChI

InChI=1S/4C7H10O7P2.3Sn/c4*8-7(15(9,10)11)16(12,13)14-6-4-2-1-3-5-6;;;/h4*1-5,7-8H,(H,12,13)(H2,9,10,11);;;/q;;;;3*+4/p-12