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

Systemtic Name: (2-oxidanylidene-1,3-benzoxathiol-5-yl) 4-chloranyl-3-nitro-benzoate Openeye Name: (2-oxo-1,3-benzoxathiol-5-yl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (2-oxo-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-1,3-benzoxathiol-5-yl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (2-keto-1,3-benzoxathiol-5-yl) ester Formula: C14H6ClNO6S MolecularWeight: 351.71854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OC2=CC3=C(C=C2)OC(=O)S3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OC2=CC3=C(C=C2)OC(=O)S3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H6ClNO6S/c15-9-3-1-7(5-10(9)16(19)20)13(17)21-8-2-4-11-12(6-8)23-14(18)22-11/h1-6H