(5-acetamido-6-oxidanyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (5-acetamido-6-oxidanyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-acetamido-6-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-acetamido-6-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester IUPAC Name: (5-acetamido-6-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-acetamido-6-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO7S/c1-11-3-5-14(6-4-11)27(22,23)25-10-13-9-24-16-8-7-15(21)17(18(16)26-13)19-12(2)20/h3-8,13,21H,9-10H2,1-2H3,(H,19,20)