(4-oxidanyl-3-propanoyl-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (4-oxidanyl-3-propanoyl-phenyl) 4-methylbenzenesulfonate Openeye Name: (4-hydroxy-3-propanoyl-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-hydroxy-3-(1-oxopropyl)phenyl] ester IUPAC Name: (4-hydroxy-3-propanoylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-hydroxy-3-propionyl-phenyl) ester Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C16H16O5S/c1-3-15(17)14-10-12(6-9-16(14)18)21-22(19,20)13-7-4-11(2)5-8-13/h4-10,18H,3H2,1-2H3