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

Systemtic Name: (3-ethyl-2H-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (3-ethyl-2H-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-ethyl-2H-1,4-benzodioxin-3-yl)methyl ester IUPAC Name: (3-ethyl-2H-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-ethyl-2H-1,4-benzodioxin-3-yl)methyl ester Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(COC2=CC=CC=C2O1)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1(COC2=CC=CC=C2O1)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H20O5S/c1-3-18(12-21-16-6-4-5-7-17(16)23-18)13-22-24(19,20)15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3