(3-methyl-2H-1,4-benzodioxin-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-methyl-2H-1,4-benzodioxin-3-yl) 4-methylbenzenesulfonate Openeye Name: (3-methyl-2H-1,4-benzodioxin-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-methyl-2H-1,4-benzodioxin-3-yl) ester IUPAC Name: (3-methyl-2H-1,4-benzodioxin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-methyl-2H-1,4-benzodioxin-3-yl) ester Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2(COC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2(COC3=CC=CC=C3O2)C

InChI

InChI=1S/C16H16O5S/c1-12-7-9-13(10-8-12)22(17,18)21-16(2)11-19-14-5-3-4-6-15(14)20-16/h3-10H,11H2,1-2H3