(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-ethylsulfonylbenzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-ethylsulfonylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H17NO8S MolecularWeight: 407.39448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C18H17NO8S/c1-2-28(23,24)16-6-4-3-5-15(16)18(20)26-10-13-8-14(19(21)22)7-12-9-25-11-27-17(12)13/h3-8H,2,9-11H2,1H3