[4-[tris(bromanyl)methylsulfonyl]phenyl] 4-methylbenzenesulfinate

Systemtic Name: [4-[tris(bromanyl)methylsulfonyl]phenyl] 4-methylbenzenesulfinate Openeye Name: [4-(tribromomethylsulfonyl)phenyl] 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid [4-(tribromomethylsulfonyl)phenyl] ester IUPAC Name: [4-(tribromomethylsulfonyl)phenyl] 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid [4-(tribromomethylsulfonyl)phenyl] ester Formula: C14H11Br3O4S2 MolecularWeight: 547.07674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11Br3O4S2/c1-10-2-6-12(7-3-10)22(18)21-11-4-8-13(9-5-11)23(19,20)14(15,16)17/h2-9H,1H3