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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H16N2O8S MolecularWeight: 468.43604

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O8S/c25-22(31-12-16-9-17(23(26)27)8-15-11-30-13-32-21(15)16)14-6-7-20(19(10-14)24(28)29)33-18-4-2-1-3-5-18/h1-10H,11-13H2