(4-tert-butylphenyl)-diphenyl-sulfanium; 4-(diphenylmethyl)benzenesulfonate

Systemtic Name: (4-tert-butylphenyl)-diphenyl-sulfanium; 4-(diphenylmethyl)benzenesulfonate Openeye Name: 4-benzhydrylbenzenesulfonate; (4-tert-butylphenyl)-diphenyl-sulfonium CAS Name: (4-tert-butylphenyl)-diphenylsulfonium; 4-(diphenylmethyl)benzenesulfonate IUPAC Name: 4-benzhydrylbenzenesulfonate; (4-tert-butylphenyl)-diphenylsulfanium Traditional Name: 4-benzhydrylbesylate; (4-tert-butylphenyl)-diphenyl-sulfonium Formula: C41H38O3S2 MolecularWeight: 642.86862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C22H23S.C19H16O3S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;20-23(21,22)18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h4-17H,1-3H3;1-14,19H,(H,20,21,22)/q+1;/p-1