bis(4-tert-butylphenyl)-(phenylmethyl)sulfanium; tris(4-bromophenyl)-butyl-boranuide

Systemtic Name: bis(4-tert-butylphenyl)-(phenylmethyl)sulfanium; tris(4-bromophenyl)-butyl-boranuide Openeye Name: benzyl-bis(4-tert-butylphenyl)sulfonium; tris(4-bromophenyl)-butyl-boranuide CAS Name: bis(4-tert-butylphenyl)-(phenylmethyl)sulfonium; tris(4-bromophenyl)-butylboranuide IUPAC Name: benzyl-bis(4-tert-butylphenyl)sulfanium; tris(4-bromophenyl)-butylboranuide Traditional Name: benzyl-bis(4-tert-butylphenyl)sulfonium; tris(4-bromophenyl)-butyl-boranuide Formula: C49H54BBr3S MolecularWeight: 925.54106

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Descriptors Computed from Structure

Canonical SMILES:

[B-](CCCC)(C1=CC=C(C=C1)Br)(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br.CC(C)(C)C1=CC=C(C=C1)[S+](CC2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

[B-](CCCC)(C1=CC=C(C=C1)Br)(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br.CC(C)(C)C1=CC=C(C=C1)[S+](CC2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H33S.C22H21BBr3/c1-26(2,3)22-12-16-24(17-13-22)28(20-21-10-8-7-9-11-21)25-18-14-23(15-19-25)27(4,5)6;1-2-3-16-23(17-4-10-20(24)11-5-17,18-6-12-21(25)13-7-18)19-8-14-22(26)15-9-19/h7-19H,20H2,1-6H3;4-15H,2-3,16H2,1H3/q+1;-1