1,3-benzothiazole-2-thiolate; carbon monoxide; hydrogen peroxide; iridium; triphenylphosphane

Systemtic Name: 1,3-benzothiazole-2-thiolate; carbon monoxide; hydrogen peroxide; iridium; triphenylphosphane Openeye Name: 1,3-benzothiazole-2-thiolate; carbon monoxide; hydrogen peroxide; iridium; triphenylphosphane CAS Name: 1,3-benzothiazole-2-thiolate; carbon monoxide; hydrogen peroxide; iridium; triphenylphosphine IUPAC Name: 1,3-benzothiazole-2-thiolate; carbon monoxide; hydrogen peroxide; iridium; triphenylphosphane Traditional Name: 1,3-benzothiazole-2-thiolate; carbon monoxide; hydrogen peroxide; iridium; triphenylphosphine Formula: C44H36IrNO3P2S2- MolecularWeight: 945.056062

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C2C(=C1)N=C(S2)[S-].OO.[Ir]

Isomeric SMILES

[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C2C(=C1)N=C(S2)[S-].OO.[Ir]

InChI

InChI=1S/2C18H15P.C7H5NS2.CO.Ir.H2O2/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-7-8-5-3-1-2-4-6(5)10-7;1-2;;1-2/h2*1-15H;1-4H,(H,8,9);;;1-2H/p-1