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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-ethylsulfanylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H17NO6S MolecularWeight: 375.39568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C18H17NO6S/c1-2-26-16-6-4-3-5-15(16)18(20)24-10-13-8-14(19(21)22)7-12-9-23-11-25-17(12)13/h3-8H,2,9-11H2,1H3