(2-oxidanylidene-7-phenyl-1,3-benzoxathiol-5-yl) 2-(4-bromanylphenoxy)ethanoate

Systemtic Name: (2-oxidanylidene-7-phenyl-1,3-benzoxathiol-5-yl) 2-(4-bromanylphenoxy)ethanoate Openeye Name: (2-oxo-7-phenyl-1,3-benzoxathiol-5-yl) 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid (2-oxo-7-phenyl-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-7-phenyl-1,3-benzoxathiol-5-yl) 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid (2-keto-7-phenyl-1,3-benzoxathiol-5-yl) ester Formula: C21H13BrO5S MolecularWeight: 457.29392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H13BrO5S/c22-14-6-8-15(9-7-14)25-12-19(23)26-16-10-17(13-4-2-1-3-5-13)20-18(11-16)28-21(24)27-20/h1-11H,12H2