(2-oxidanylidene-7-phenyl-1,3-benzoxathiol-5-yl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-7-phenyl-1,3-benzoxathiol-5-yl) 4-chloranyl-3-nitro-benzoate Openeye Name: (2-oxo-7-phenyl-1,3-benzoxathiol-5-yl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (2-oxo-7-phenyl-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-7-phenyl-1,3-benzoxathiol-5-yl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (2-keto-7-phenyl-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)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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