[2-(1-oxidanyl-2-oxidanylidene-propyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(1-oxidanyl-2-oxidanylidene-propyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(1-hydroxy-2-oxo-propyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(1-hydroxy-2-oxopropyl)phenyl] ester IUPAC Name: [2-(1-hydroxy-2-oxopropyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(1-hydroxy-2-keto-propyl)phenyl] ester Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(C(=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(C(=O)C)O

InChI

InChI=1S/C16H16O5S/c1-11-7-9-13(10-8-11)22(19,20)21-15-6-4-3-5-14(15)16(18)12(2)17/h3-10,16,18H,1-2H3