[4-bis(4-phosphonophenyl)phosphanylphenyl]phosphonic acid; carbon monoxide; cobalt

Systemtic Name: [4-bis(4-phosphonophenyl)phosphanylphenyl]phosphonic acid; carbon monoxide; cobalt Openeye Name: [4-bis(4-phosphonophenyl)phosphanylphenyl]phosphonic acid; carbon monoxide; cobalt CAS Name: [4-bis(4-phosphonophenyl)phosphinophenyl]phosphonic acid; carbon monoxide; cobalt IUPAC Name: [4-bis(4-phosphonophenyl)phosphanylphenyl]phosphonic acid; carbon monoxide; cobalt Traditional Name: [4-bis(4-phosphonophenyl)phosphinophenyl]phosphonic acid; carbon monoxide; cobalt Formula: C39H36CoO21P8 MolecularWeight: 1147.413828

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC(=CC=C1P(C2=CC=C(C=C2)P(=O)(O)O)C3=CC=C(C=C3)P(=O)(O)O)P(=O)(O)O.C1=CC(=CC=C1P(C2=CC=C(C=C2)P(=O)(O)O)C3=CC=C(C=C3)P(=O)(O)O)P(=O)(O)O.[Co]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC(=CC=C1P(C2=CC=C(C=C2)P(=O)(O)O)C3=CC=C(C=C3)P(=O)(O)O)P(=O)(O)O.C1=CC(=CC=C1P(C2=CC=C(C=C2)P(=O)(O)O)C3=CC=C(C=C3)P(=O)(O)O)P(=O)(O)O.[Co]

InChI

InChI=1S/2C18H18O9P4.3CO.Co/c2*19-29(20,21)16-7-1-13(2-8-16)28(14-3-9-17(10-4-14)30(22,23)24)15-5-11-18(12-6-15)31(25,26)27;3*1-2;/h2*1-12H,(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;