3-(bromomethyl)-2,2,5,5-tetramethyl-1-methylsulfonyl-4-pyren-1-yl-pyrrole

Systemtic Name: 3-(bromomethyl)-2,2,5,5-tetramethyl-1-methylsulfonyl-4-pyren-1-yl-pyrrole Openeye Name: 3-(bromomethyl)-2,2,5,5-tetramethyl-1-methylsulfonyl-4-pyren-1-yl-pyrrole CAS Name: 3-(bromomethyl)-2,2,5,5-tetramethyl-1-methylsulfonyl-4-(1-pyrenyl)pyrrole IUPAC Name: 3-(bromomethyl)-2,2,5,5-tetramethyl-1-methylsulfonyl-4-pyren-1-ylpyrrole Traditional Name: 3-(bromomethyl)-1-mesyl-2,2,5,5-tetramethyl-4-pyren-1-yl-3-pyrroline Formula: C26H26BrNO2S MolecularWeight: 496.45914

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(N1S(=O)(=O)C)(C)C)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)CBr)C

Isomeric SMILES

CC1(C(=C(C(N1S(=O)(=O)C)(C)C)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)CBr)C

InChI

InChI=1S/C26H26BrNO2S/c1-25(2)21(15-27)24(26(3,4)28(25)31(5,29)30)20-14-12-18-10-9-16-7-6-8-17-11-13-19(20)23(18)22(16)17/h6-14H,15H2,1-5H3