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

Systemtic Name: 4-(4-methylphenyl)sulfonyloxynaphthalene-1-sulfonate; tris(4-methylphenyl)sulfanium Openeye Name: 4-(p-tolylsulfonyloxy)naphthalene-1-sulfonate; tris-p-tolylsulfonium CAS Name: 4-(4-methylphenyl)sulfonyloxy-1-naphthalenesulfonate; tris(4-methylphenyl)sulfonium IUPAC Name: 4-(4-methylphenyl)sulfonyloxynaphthalene-1-sulfonate; tris(4-methylphenyl)sulfanium Traditional Name: 4-tosyloxynaphthalene-1-sulfonate; tris-p-tolylsulfonium Formula: C38H34O6S3 MolecularWeight: 682.86796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C3=CC=CC=C32)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C3=CC=CC=C32)S(=O)(=O)[O-]

InChI

InChI=1S/C21H21S.C17H14O6S2/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;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/h4-15H,1-3H3;2-11H,1H3,(H,18,19,20)/q+1;/p-1