[2-(1,3-benzodioxol-5-yl)-2-(oxan-2-yloxy)ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-(oxan-2-yloxy)ethyl] 4-methylbenzenesulfonate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-tetrahydropyran-2-yloxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(1,3-benzodioxol-5-yl)-2-(2-oxanyloxy)ethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-(oxan-2-yloxy)ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(1,3-benzodioxol-5-yl)-2-tetrahydropyran-2-yloxy-ethyl] ester Formula: C21H24O7S MolecularWeight: 420.47606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC3=C(C=C2)OCO3)OC4CCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC3=C(C=C2)OCO3)OC4CCCCO4

InChI

InChI=1S/C21H24O7S/c1-15-5-8-17(9-6-15)29(22,23)27-13-20(28-21-4-2-3-11-24-21)16-7-10-18-19(12-16)26-14-25-18/h5-10,12,20-21H,2-4,11,13-14H2,1H3