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

Systemtic Name: (2-oxidanylidene-7-phenyl-1,3-benzoxathiol-5-yl) 4-nitrobenzoate Openeye Name: (2-oxo-7-phenyl-1,3-benzoxathiol-5-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2-oxo-7-phenyl-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-7-phenyl-1,3-benzoxathiol-5-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-keto-7-phenyl-1,3-benzoxathiol-5-yl) ester Formula: C20H11NO6S MolecularWeight: 393.36944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H11NO6S/c22-19(13-6-8-14(9-7-13)21(24)25)26-15-10-16(12-4-2-1-3-5-12)18-17(11-15)28-20(23)27-18/h1-11H