(2-bromanylpyren-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-bromanylpyren-1-yl) 4-methylbenzenesulfonate Openeye Name: (2-bromopyren-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-bromo-1-pyrenyl) ester IUPAC Name: (2-bromopyren-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-bromopyren-1-yl) ester Formula: C23H15BrO3S MolecularWeight: 451.3324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C=CC4=C5C3=C2C=CC5=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C=CC4=C5C3=C2C=CC5=CC=C4)Br

InChI

InChI=1S/C23H15BrO3S/c1-14-5-10-18(11-6-14)28(25,26)27-23-19-12-9-16-4-2-3-15-7-8-17(13-20(23)24)22(19)21(15)16/h2-13H,1H3