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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-nitrophenyl)thio]propanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-nitrophenyl)thio]propionic acid (6-chloro-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)Cl)COCO2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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