(6-ethanoyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (6-ethanoyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (6-acetyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-acetyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl ester IUPAC Name: (6-acetyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-acetyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl ester Formula: C18H18O6S MolecularWeight: 362.39692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C=CC(=C3)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C=CC(=C3)C(=O)C

InChI

InChI=1S/C18H18O6S/c1-12-3-6-16(7-4-12)25(20,21)23-11-15-10-22-18-9-14(13(2)19)5-8-17(18)24-15/h3-9,15H,10-11H2,1-2H3