[6-(2-chloranyl-4-nitro-phenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] benzoate

Systemtic Name: [6-(2-chloranyl-4-nitro-phenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] benzoate Openeye Name: [6-(2-chloro-4-nitro-phenyl)-2-oxo-1,3-benzoxathiol-5-yl] benzoate CAS Name: benzoic acid [6-(2-chloro-4-nitrophenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [6-(2-chloro-4-nitrophenyl)-2-oxo-1,3-benzoxathiol-5-yl] benzoate Traditional Name: benzoic acid [6-(2-chloro-4-nitro-phenyl)-2-keto-1,3-benzoxathiol-5-yl] ester Formula: C20H10ClNO6S MolecularWeight: 427.8145

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2C4=C(C=C(C=C4)[N+](=O)[O-])Cl)OC(=O)S3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2C4=C(C=C(C=C4)[N+](=O)[O-])Cl)OC(=O)S3

InChI

InChI=1S/C20H10ClNO6S/c21-15-8-12(22(25)26)6-7-13(15)14-9-17-18(29-20(24)28-17)10-16(14)27-19(23)11-4-2-1-3-5-11/h1-10H