(1-bromanyl-9,10-dimethyl-anthracen-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-bromanyl-9,10-dimethyl-anthracen-2-yl) 4-methylbenzenesulfonate Openeye Name: (1-bromo-9,10-dimethyl-2-anthryl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-bromo-9,10-dimethyl-2-anthracenyl) ester IUPAC Name: (1-bromo-9,10-dimethylanthracen-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-bromo-9,10-dimethyl-2-anthryl) ester Formula: C23H19BrO3S MolecularWeight: 455.36416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=C(C4=CC=CC=C4C(=C3C=C2)C)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=C(C4=CC=CC=C4C(=C3C=C2)C)C)Br

InChI

InChI=1S/C23H19BrO3S/c1-14-8-10-17(11-9-14)28(25,26)27-21-13-12-20-15(2)18-6-4-5-7-19(18)16(3)22(20)23(21)24/h4-13H,1-3H3