2-[1-(2,6-dimethylphenoxy)ethyl]-4-methyl-benzenesulfonate

Systemtic Name: 2-[1-(2,6-dimethylphenoxy)ethyl]-4-methyl-benzenesulfonate Openeye Name: 2-[1-(2,6-dimethylphenoxy)ethyl]-4-methyl-benzenesulfonate CAS Name: 2-[1-(2,6-dimethylphenoxy)ethyl]-4-methylbenzenesulfonate IUPAC Name: 2-[1-(2,6-dimethylphenoxy)ethyl]-4-methylbenzenesulfonate Traditional Name: 2-[1-(2,6-dimethylphenoxy)ethyl]-4-methyl-besylate Formula: C17H19O4S- MolecularWeight: 319.39536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C(C)OC2=C(C=CC=C2C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C(C)OC2=C(C=CC=C2C)C

InChI

InChI=1S/C17H20O4S/c1-11-8-9-16(22(18,19)20)15(10-11)14(4)21-17-12(2)6-5-7-13(17)3/h5-10,14H,1-4H3,(H,18,19,20)/p-1