3-methoxy-4-(phenylsulfonyloxy)benzenesulfonate; tris(4-tert-butylphenyl)sulfanium

Systemtic Name: 3-methoxy-4-(phenylsulfonyloxy)benzenesulfonate; tris(4-tert-butylphenyl)sulfanium Openeye Name: 4-(benzenesulfonyloxy)-3-methoxy-benzenesulfonate; tris(4-tert-butylphenyl)sulfonium CAS Name: 4-(benzenesulfonyloxy)-3-methoxybenzenesulfonate; tris(4-tert-butylphenyl)sulfonium IUPAC Name: 4-(benzenesulfonyloxy)-3-methoxybenzenesulfonate; tris(4-tert-butylphenyl)sulfanium Traditional Name: 4-besyloxy-3-methoxy-besylate; tris(4-tert-butylphenyl)sulfonium Formula: C43H50O7S3 MolecularWeight: 775.0479

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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.COC1=C(C=CC(=C1)S(=O)(=O)[O-])OS(=O)(=O)C2=CC=CC=C2

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.COC1=C(C=CC(=C1)S(=O)(=O)[O-])OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C30H39S.C13H12O7S2/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;1-19-13-9-11(21(14,15)16)7-8-12(13)20-22(17,18)10-5-3-2-4-6-10/h10-21H,1-9H3;2-9H,1H3,(H,14,15,16)/q+1;/p-1