[3-methyl-5-(3-oxidanylidenepropoxy)phenyl] 2-chloranylbenzenesulfonate

Systemtic Name: [3-methyl-5-(3-oxidanylidenepropoxy)phenyl] 2-chloranylbenzenesulfonate Openeye Name: [3-methyl-5-(3-oxopropoxy)phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [3-methyl-5-(3-oxopropoxy)phenyl] ester IUPAC Name: [3-methyl-5-(3-oxopropoxy)phenyl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [3-(3-ketopropoxy)-5-methyl-phenyl] ester Formula: C16H15ClO5S MolecularWeight: 354.8053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCC=O

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCC=O

InChI

InChI=1S/C16H15ClO5S/c1-12-9-13(21-8-4-7-18)11-14(10-12)22-23(19,20)16-6-3-2-5-15(16)17/h2-3,5-7,9-11H,4,8H2,1H3