2,4,6-trimethyl-3-(4-methylphenyl)benzenesulfonate

Systemtic Name: 2,4,6-trimethyl-3-(4-methylphenyl)benzenesulfonate Openeye Name: 2,4,6-trimethyl-3-(p-tolyl)benzenesulfonate CAS Name: 2,4,6-trimethyl-3-(4-methylphenyl)benzenesulfonate IUPAC Name: 2,4,6-trimethyl-3-(4-methylphenyl)benzenesulfonate Traditional Name: 2,4,6-trimethyl-3-(p-tolyl)besylate Formula: C16H17O3S- MolecularWeight: 289.36938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C(C=C2C)C)S(=O)(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C(C=C2C)C)S(=O)(=O)[O-])C

InChI

InChI=1S/C16H18O3S/c1-10-5-7-14(8-6-10)15-11(2)9-12(3)16(13(15)4)20(17,18)19/h5-9H,1-4H3,(H,17,18,19)/p-1