(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-(4-chlorophenyl)sulfanylpropanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-(4-chlorophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-chlorophenyl)thio]propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-(4-chlorophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-chlorophenyl)thio]propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H16ClNO6S MolecularWeight: 409.84074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClNO6S/c1-11(27-16-4-2-14(19)3-5-16)18(21)25-9-13-7-15(20(22)23)6-12-8-24-10-26-17(12)13/h2-7,11H,8-10H2,1H3/t11-/m1/s1