4-(4-methylphenyl)sulfonyloxynaphthalene-1-sulfonate; tris(4-tert-butylphenyl)sulfanium

Systemtic Name: 4-(4-methylphenyl)sulfonyloxynaphthalene-1-sulfonate; tris(4-tert-butylphenyl)sulfanium Openeye Name: 4-(p-tolylsulfonyloxy)naphthalene-1-sulfonate; tris(4-tert-butylphenyl)sulfonium CAS Name: 4-(4-methylphenyl)sulfonyloxy-1-naphthalenesulfonate; tris(4-tert-butylphenyl)sulfonium IUPAC Name: 4-(4-methylphenyl)sulfonyloxynaphthalene-1-sulfonate; tris(4-tert-butylphenyl)sulfanium Traditional Name: 4-tosyloxynaphthalene-1-sulfonate; tris(4-tert-butylphenyl)sulfonium Formula: C47H52O6S3 MolecularWeight: 809.10718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C3=CC=CC=C32)S(=O)(=O)[O-].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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C3=CC=CC=C32)S(=O)(=O)[O-].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

InChI

InChI=1S/C30H39S.C17H14O6S2/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;1-12-6-8-13(9-7-12)25(21,22)23-16-10-11-17(24(18,19)20)15-5-3-2-4-14(15)16/h10-21H,1-9H3;2-11H,1H3,(H,18,19,20)/q+1;/p-1