(3-bromanylcyclopenta-1,3-dien-1-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (3-bromanylcyclopenta-1,3-dien-1-yl)methyl 4-methylbenzenesulfonate Openeye Name: (3-bromocyclopenta-1,3-dien-1-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-bromo-1-cyclopenta-1,3-dienyl)methyl ester IUPAC Name: (3-bromocyclopenta-1,3-dien-1-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-bromocyclopenta-1,3-dien-1-yl)methyl ester Formula: C13H13BrO3S MolecularWeight: 329.20952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC(=CC2)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC(=CC2)Br

InChI

InChI=1S/C13H13BrO3S/c1-10-2-6-13(7-3-10)18(15,16)17-9-11-4-5-12(14)8-11/h2-3,5-8H,4,9H2,1H3