2-[1-(1,4-benzodioxin-3-yl)ethyl]-4-methyl-benzenesulfonate

Systemtic Name: 2-[1-(1,4-benzodioxin-3-yl)ethyl]-4-methyl-benzenesulfonate Openeye Name: 2-[1-(1,4-benzodioxin-3-yl)ethyl]-4-methyl-benzenesulfonate CAS Name: 2-[1-(1,4-benzodioxin-3-yl)ethyl]-4-methylbenzenesulfonate IUPAC Name: 2-[1-(1,4-benzodioxin-3-yl)ethyl]-4-methylbenzenesulfonate Traditional Name: 2-[1-(1,4-benzodioxin-3-yl)ethyl]-4-methyl-besylate Formula: C17H15O5S- MolecularWeight: 331.363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C(C)C2=COC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C(C)C2=COC3=CC=CC=C3O2

InChI

InChI=1S/C17H16O5S/c1-11-7-8-17(23(18,19)20)13(9-11)12(2)16-10-21-14-5-3-4-6-15(14)22-16/h3-10,12H,1-2H3,(H,18,19,20)/p-1