phenyl 2-bromanyl-4-methyl-benzenesulfonate

Systemtic Name: phenyl 2-bromanyl-4-methyl-benzenesulfonate Openeye Name: phenyl 2-bromo-4-methyl-benzenesulfonate CAS Name: 2-bromo-4-methylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-bromo-4-methylbenzenesulfonate Traditional Name: 2-bromo-4-methyl-benzenesulfonic acid phenyl ester Formula: C13H11BrO3S MolecularWeight: 327.19364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrO3S/c1-10-7-8-13(12(14)9-10)18(15,16)17-11-5-3-2-4-6-11/h2-9H,1H3