phenyl 4-chloranyl-2-methyl-benzenesulfonate

Systemtic Name: phenyl 4-chloranyl-2-methyl-benzenesulfonate Openeye Name: phenyl 4-chloro-2-methyl-benzenesulfonate CAS Name: 4-chloro-2-methylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-chloro-2-methylbenzenesulfonate Traditional Name: 4-chloro-2-methyl-benzenesulfonic acid phenyl ester Formula: C13H11ClO3S MolecularWeight: 282.74264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C13H11ClO3S/c1-10-9-11(14)7-8-13(10)18(15,16)17-12-5-3-2-4-6-12/h2-9H,1H3