iridium; (2-sulfanylidene-1,3-benzothiazol-3-yl)methanone; sulfuric acid; triphenylphosphane

Systemtic Name: iridium; (2-sulfanylidene-1,3-benzothiazol-3-yl)methanone; sulfuric acid; triphenylphosphane Openeye Name: iridium; sulfuric acid; (2-thioxo-1,3-benzothiazol-3-yl)methanone; triphenylphosphane CAS Name: iridium; (2-sulfanylidene-1,3-benzothiazol-3-yl)methanone; sulfuric acid; triphenylphosphine IUPAC Name: iridium; (2-sulfanylidene-1,3-benzothiazol-3-yl)methanone; sulfuric acid; triphenylphosphane Traditional Name: iridium; sulfuric acid; (2-thioxo-1,3-benzothiazol-3-yl)methanone; triphenylphosphine Formula: C44H36IrNO5P2S3- MolecularWeight: 1009.119862

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Descriptors Computed from Structure

Canonical SMILES:

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(=S)S2)[C-]=O.OS(=O)(=O)O.[Ir]

Isomeric SMILES

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(=S)S2)[C-]=O.OS(=O)(=O)O.[Ir]

InChI

InChI=1S/2C18H15P.C8H4NOS2.Ir.H2O4S/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;10-5-9-6-3-1-2-4-7(6)12-8(9)11;;1-5(2,3)4/h2*1-15H;1-4H;;(H2,1,2,3,4)/q;;-1;;