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

Systemtic Name: (5-methanoyl-6-oxidanyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-formyl-6-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-formyl-6-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester IUPAC Name: (5-formyl-6-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-formyl-6-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester Formula: C17H16O7S MolecularWeight: 364.36974

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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)C=O

Isomeric SMILES

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

InChI

InChI=1S/C17H16O7S/c1-11-2-4-13(5-3-11)25(20,21)23-10-12-9-22-16-7-6-15(19)14(8-18)17(16)24-12/h2-8,12,19H,9-10H2,1H3