[7-[2,5-bis(chloranyl)phenyl]-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-phenoxyethanoate

Systemtic Name: [7-[2,5-bis(chloranyl)phenyl]-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-phenoxyethanoate Openeye Name: [7-(2,5-dichlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [7-(2,5-dichlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(2,5-dichlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [7-(2,5-dichlorophenyl)-2-keto-1,3-benzoxathiol-5-yl] ester Formula: C21H12Cl2O5S MolecularWeight: 447.28798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12Cl2O5S/c22-12-6-7-17(23)15(8-12)16-9-14(10-18-20(16)28-21(25)29-18)27-19(24)11-26-13-4-2-1-3-5-13/h1-10H,11H2