(4-methylphenyl)sulfanium; 3-(methylsulfonylmethyl)naphthalene-1,2,4-triol

Systemtic Name: (4-methylphenyl)sulfanium; 3-(methylsulfonylmethyl)naphthalene-1,2,4-triol Openeye Name: 3-(methylsulfonylmethyl)naphthalene-1,2,4-triol; p-tolylsulfonium CAS Name: (4-methylphenyl)sulfonium; 3-(methylsulfonylmethyl)naphthalene-1,2,4-triol IUPAC Name: (4-methylphenyl)sulfanium; 3-(methylsulfonylmethyl)naphthalene-1,2,4-triol Traditional Name: 3-(mesylmethyl)naphthalene-1,2,4-triol; p-tolylsulfonium Formula: C19H21O5S2+ MolecularWeight: 393.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[SH2+].CS(=O)(=O)CC1=C(C2=CC=CC=C2C(=C1O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)[SH2+].CS(=O)(=O)CC1=C(C2=CC=CC=C2C(=C1O)O)O

InChI

InChI=1S/C12H12O5S.C7H8S/c1-18(16,17)6-9-10(13)7-4-2-3-5-8(7)11(14)12(9)15;1-6-2-4-7(8)5-3-6/h2-5,13-15H,6H2,1H3;2-5,8H,1H3/p+1