(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[4-(1,3-dithian-2-yl)phenoxy]ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[4-(1,3-dithian-2-yl)phenoxy]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[4-(1,3-dithian-2-yl)phenoxy]acetate CAS Name: 2-[4-(1,3-dithian-2-yl)phenoxy]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[4-(1,3-dithian-2-yl)phenoxy]acetate Traditional Name: 2-[4-(1,3-dithian-2-yl)phenoxy]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H21NO7S2 MolecularWeight: 463.52394

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)OCC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)OCC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C21H21NO7S2/c23-19(12-27-18-4-2-14(3-5-18)21-30-6-1-7-31-21)28-11-16-9-17(22(24)25)8-15-10-26-13-29-20(15)16/h2-5,8-9,21H,1,6-7,10-13H2