(4,7-dimethyl-6-oxidanyl-1,3-dioxepan-5-yl) 4-methylbenzenesulfonate

Systemtic Name: (4,7-dimethyl-6-oxidanyl-1,3-dioxepan-5-yl) 4-methylbenzenesulfonate Openeye Name: (6-hydroxy-4,7-dimethyl-1,3-dioxepan-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-hydroxy-4,7-dimethyl-1,3-dioxepan-5-yl) ester IUPAC Name: (6-hydroxy-4,7-dimethyl-1,3-dioxepan-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-hydroxy-4,7-dimethyl-1,3-dioxepan-5-yl) ester Formula: C14H20O6S MolecularWeight: 316.37

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(OCO1)C)OS(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CC1C(C(C(OCO1)C)OS(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C14H20O6S/c1-9-4-6-12(7-5-9)21(16,17)20-14-11(3)19-8-18-10(2)13(14)15/h4-7,10-11,13-15H,8H2,1-3H3