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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H17NO7S MolecularWeight: 403.40578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C19H17NO7S/c1-12(21)10-28-17-5-3-2-4-16(17)19(22)26-9-14-7-15(20(23)24)6-13-8-25-11-27-18(13)14/h2-7H,8-11H2,1H3