phenyliodanuidylbenzene; 2,4,6-tris(bromanyl)benzenesulfonic acid

Systemtic Name: phenyliodanuidylbenzene; 2,4,6-tris(bromanyl)benzenesulfonic acid Openeye Name: phenyliodanuidylbenzene; 2,4,6-tribromobenzenesulfonic acid CAS Name: phenyliodanuidylbenzene; 2,4,6-tribromobenzenesulfonic acid IUPAC Name: phenyliodanuidylbenzene; 2,4,6-tribromobenzenesulfonic acid Traditional Name: phenyliodanuidylbenzene; 2,4,6-tribromobesylic acid Formula: C18H13Br3IO3S- MolecularWeight: 675.97549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[I-]C2=CC=CC=C2.C1=C(C=C(C(=C1Br)S(=O)(=O)O)Br)Br

Isomeric SMILES

C1=CC=C(C=C1)[I-]C2=CC=CC=C2.C1=C(C=C(C(=C1Br)S(=O)(=O)O)Br)Br

InChI

InChI=1S/C12H10I.C6H3Br3O3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-3-1-4(8)6(5(9)2-3)13(10,11)12/h1-10H;1-2H,(H,10,11,12)/q-1;