sodium 4-(4-methylphenyl)sulfonyloxynaphthalene-1-sulfonate

Systemtic Name: sodium 4-(4-methylphenyl)sulfonyloxynaphthalene-1-sulfonate Openeye Name: sodium 4-(p-tolylsulfonyloxy)naphthalene-1-sulfonate CAS Name: sodium 4-(4-methylphenyl)sulfonyloxy-1-naphthalenesulfonate IUPAC Name: sodium 4-(4-methylphenyl)sulfonyloxynaphthalene-1-sulfonate Traditional Name: sodium 4-tosyloxynaphthalene-1-sulfonate Formula: C17H13NaO6S2 MolecularWeight: 400.40129

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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-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C17H14O6S2.Na/c1-12-6-8-13(9-7-12)25(21,22)23-16-10-11-17(24(18,19)20)15-5-3-2-4-14(15)16;/h2-11H,1H3,(H,18,19,20);/q;+1/p-1