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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-phenylsulfanylethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H15NO6S MolecularWeight: 361.3691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CSC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CSC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO6S/c19-16(10-25-15-4-2-1-3-5-15)23-9-13-7-14(18(20)21)6-12-8-22-11-24-17(12)13/h1-7H,8-11H2