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

Systemtic Name: [7-[2,5-bis(chloranyl)phenyl]-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-phenylethanoate Openeye Name: [7-(2,5-dichlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-phenylacetate CAS Name: 2-phenylacetic 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-phenylacetate Traditional Name: 2-phenylacetic acid [7-(2,5-dichlorophenyl)-2-keto-1,3-benzoxathiol-5-yl] ester Formula: C21H12Cl2O4S MolecularWeight: 431.28858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12Cl2O4S/c22-13-6-7-17(23)15(9-13)16-10-14(11-18-20(16)27-21(25)28-18)26-19(24)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2