(4-bromophenyl) [7-methyl-1,1,4-tris(oxidanylidene)-2,3-dihydrothiochromen-3-yl] sulfite

Systemtic Name: (4-bromophenyl) [7-methyl-1,1,4-tris(oxidanylidene)-2,3-dihydrothiochromen-3-yl] sulfite Openeye Name: (4-bromophenyl) (7-methyl-1,1,4-trioxo-2,3-dihydrothiochromen-3-yl) sulfite CAS Name: sulfurous acid (4-bromophenyl) (7-methyl-1,1,4-trioxo-2,3-dihydro-1-benzothiopyran-3-yl) ester IUPAC Name: (4-bromophenyl) (7-methyl-1,1,4-trioxo-2,3-dihydrothiochromen-3-yl) sulfite Traditional Name: sulfurous acid (4-bromophenyl) (1,1,4-triketo-7-methyl-2,3-dihydrothiochromen-3-yl) ester Formula: C16H13BrO6S2 MolecularWeight: 445.30482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C(CS2(=O)=O)OS(=O)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C(CS2(=O)=O)OS(=O)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H13BrO6S2/c1-10-2-7-13-15(8-10)25(20,21)9-14(16(13)18)23-24(19)22-12-5-3-11(17)4-6-12/h2-8,14H,9H2,1H3