sodium; (1Z,5Z)-cycloocta-1,5-diene; 6-diphenylphosphanyl-5-(2-diphenylphosphanyl-5-sulfo-naphthalen-1-yl)naphthalene-1-sulfonic acid; iridium; tetratetrafluoroborate

Systemtic Name: sodium; (1Z,5Z)-cycloocta-1,5-diene; 6-diphenylphosphanyl-5-(2-diphenylphosphanyl-5-sulfo-naphthalen-1-yl)naphthalene-1-sulfonic acid; iridium; tetratetrafluoroborate Openeye Name: sodium; (1Z,5Z)-cycloocta-1,5-diene; 6-diphenylphosphanyl-5-(2-diphenylphosphanyl-5-sulfo-1-naphthyl)naphthalene-1-sulfonic acid; iridium; tetratetrafluoroborate CAS Name: sodium; (1Z,5Z)-cycloocta-1,5-diene; 6-diphenylphosphino-5-(2-diphenylphosphino-5-sulfo-1-naphthalenyl)-1-naphthalenesulfonic acid; iridium; tetratetrafluoroborate IUPAC Name: sodium; (1Z,5Z)-cycloocta-1,5-diene; 6-diphenylphosphanyl-5-(2-diphenylphosphanyl-5-sulfonaphthalen-1-yl)naphthalene-1-sulfonic acid; iridium; tetratetrafluoroborate Traditional Name: sodium; (1Z,5Z)-cycloocta-1,5-diene; 6-diphenylphosphino-5-(2-diphenylphosphino-5-sulfo-1-naphthyl)naphthalene-1-sulfonic acid; iridium; tetratetrafluoroborate Formula: C52H44B4F16IrNaO6P2S2-3 MolecularWeight: 1453.404903

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1CC=CCCC=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)O)C5=C(C=CC6=C5C=CC=C6S(=O)(=O)O)P(C7=CC=CC=C7)C8=CC=CC=C8.[Na+].[Ir]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1/C=C\CC/C=C\C1.C1=CC=C(C=C1)P(C2=C(C3=C(C(=CC=C3)S(=O)(=O)O)C=C2)C4=C(C=CC5=C4C=CC=C5S(=O)(=O)O)P(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8.[Na+].[Ir]

InChI

InChI=1S/C44H32O6P2S2.C8H12.4BF4.Ir.Na/c45-53(46,47)41-25-13-23-37-35(41)27-29-39(51(31-15-5-1-6-16-31)32-17-7-2-8-18-32)43(37)44-38-24-14-26-42(54(48,49)50)36(38)28-30-40(44)52(33-19-9-3-10-20-33)34-21-11-4-12-22-34;1-2-4-6-8-7-5-3-1;4*2-1(3,4)5;;/h1-30H,(H,45,46,47)(H,48,49,50);1-2,7-8H,3-6H2;;;;;;/q;;4*-1;;+1/b;2-1-,8-7-;;;;;;