(1-chloranyl-2-oxidanylidene-2-phenyl-ethyl) 3-methoxy-4-methyl-benzenesulfonate

Systemtic Name: (1-chloranyl-2-oxidanylidene-2-phenyl-ethyl) 3-methoxy-4-methyl-benzenesulfonate Openeye Name: (1-chloro-2-oxo-2-phenyl-ethyl) 3-methoxy-4-methyl-benzenesulfonate CAS Name: 3-methoxy-4-methylbenzenesulfonic acid (1-chloro-2-oxo-2-phenylethyl) ester IUPAC Name: (1-chloro-2-oxo-2-phenylethyl) 3-methoxy-4-methylbenzenesulfonate Traditional Name: 3-methoxy-4-methyl-benzenesulfonic acid (1-chloro-2-keto-2-phenyl-ethyl) ester Formula: C16H15ClO5S MolecularWeight: 354.8053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC(C(=O)C2=CC=CC=C2)Cl)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC(C(=O)C2=CC=CC=C2)Cl)OC

InChI

InChI=1S/C16H15ClO5S/c1-11-8-9-13(10-14(11)21-2)23(19,20)22-16(17)15(18)12-6-4-3-5-7-12/h3-10,16H,1-2H3