[7-(4-bromophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-phenoxyethanoate

Systemtic Name: [7-(4-bromophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-phenoxyethanoate Openeye Name: [7-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [7-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [7-(4-bromophenyl)-2-keto-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)OCC(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)Br)OC(=O)S3

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)Br)OC(=O)S3

InChI

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