4-(phenylsulfonyloxy)naphthalene-1-sulfonate; tris(4-tert-butylphenyl)sulfanium

Systemtic Name: 4-(phenylsulfonyloxy)naphthalene-1-sulfonate; tris(4-tert-butylphenyl)sulfanium Openeye Name: 4-(benzenesulfonyloxy)naphthalene-1-sulfonate; tris(4-tert-butylphenyl)sulfonium CAS Name: 4-(benzenesulfonyloxy)-1-naphthalenesulfonate; tris(4-tert-butylphenyl)sulfonium IUPAC Name: 4-(benzenesulfonyloxy)naphthalene-1-sulfonate; tris(4-tert-butylphenyl)sulfanium Traditional Name: 4-besyloxynaphthalene-1-sulfonate; tris(4-tert-butylphenyl)sulfonium Formula: C46H50O6S3 MolecularWeight: 795.0806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C(C)(C)C.C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C3=CC=CC=C32)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C(C)(C)C.C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C3=CC=CC=C32)S(=O)(=O)[O-]

InChI

InChI=1S/C30H39S.C16H12O6S2/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;17-23(18,19)16-11-10-15(13-8-4-5-9-14(13)16)22-24(20,21)12-6-2-1-3-7-12/h10-21H,1-9H3;1-11H,(H,17,18,19)/q+1;/p-1