[4-(4-methoxyphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-(4-bromanylphenoxy)ethanoate

Systemtic Name: [4-(4-methoxyphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [4-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [4-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [4-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [2-keto-4-(4-methoxyphenyl)-1,3-benzoxathiol-5-yl] ester Formula: C22H15BrO6S MolecularWeight: 487.3199

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=CC3=C2SC(=O)O3)OC(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=CC3=C2SC(=O)O3)OC(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H15BrO6S/c1-26-15-6-2-13(3-7-15)20-17(10-11-18-21(20)30-22(25)29-18)28-19(24)12-27-16-8-4-14(23)5-9-16/h2-11H,12H2,1H3