phenyl 4-bromanyl-3-methyl-benzenesulfonate

Systemtic Name: phenyl 4-bromanyl-3-methyl-benzenesulfonate Openeye Name: phenyl 4-bromo-3-methyl-benzenesulfonate CAS Name: 4-bromo-3-methylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-bromo-3-methylbenzenesulfonate Traditional Name: 4-bromo-3-methyl-benzenesulfonic acid phenyl ester Formula: C13H11BrO3S MolecularWeight: 327.19364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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