(3-methoxy-2-oxidanyl-5-oxidanylidene-pentyl) 4-methylbenzenesulfonate

Systemtic Name: (3-methoxy-2-oxidanyl-5-oxidanylidene-pentyl) 4-methylbenzenesulfonate Openeye Name: (2-hydroxy-3-methoxy-5-oxo-pentyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-hydroxy-3-methoxy-5-oxopentyl) ester IUPAC Name: (2-hydroxy-3-methoxy-5-oxopentyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-hydroxy-5-keto-3-methoxy-pentyl) ester Formula: C13H18O6S MolecularWeight: 302.34342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(CC=O)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(CC=O)OC)O

InChI

InChI=1S/C13H18O6S/c1-10-3-5-11(6-4-10)20(16,17)19-9-12(15)13(18-2)7-8-14/h3-6,8,12-13,15H,7,9H2,1-2H3