[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]-diphenyl-sulfanium; cyclohexyl-tris(4-methoxyphenyl)boranuide

Systemtic Name: [2-(4-cyanophenyl)-2-oxidanylidene-ethyl]-diphenyl-sulfanium; cyclohexyl-tris(4-methoxyphenyl)boranuide Openeye Name: [2-(4-cyanophenyl)-2-oxo-ethyl]-diphenyl-sulfonium; cyclohexyl-tris(4-methoxyphenyl)boranuide CAS Name: [2-(4-cyanophenyl)-2-oxoethyl]-diphenylsulfonium; cyclohexyl-tris(4-methoxyphenyl)boranuide IUPAC Name: [2-(4-cyanophenyl)-2-oxoethyl]-diphenylsulfanium; cyclohexyl-tris(4-methoxyphenyl)boranuide Traditional Name: [2-(4-cyanophenyl)-2-keto-ethyl]-diphenyl-sulfonium; cyclohexyl-tris(4-methoxyphenyl)boranuide Formula: C48H48BNO4S MolecularWeight: 745.77502

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1CCCCC1)(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC.C1=CC=C(C=C1)[S+](CC(=O)C2=CC=C(C=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

[B-](C1CCCCC1)(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC.C1=CC=C(C=C1)[S+](CC(=O)C2=CC=C(C=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H32BO3.C21H16NOS/c1-29-25-15-9-22(10-16-25)28(21-7-5-4-6-8-21,23-11-17-26(30-2)18-12-23)24-13-19-27(31-3)20-14-24;22-15-17-11-13-18(14-12-17)21(23)16-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h9-21H,4-8H2,1-3H3;1-14H,16H2/q-1;+1