(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(3,4-dichlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(3,4-dichlorophenyl)methylsulfanyl]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(3,4-dichlorophenyl)methylthio]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(3,4-dichlorobenzyl)thio]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H15Cl2NO6S MolecularWeight: 444.2858

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CSCC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CSCC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15Cl2NO6S/c19-15-2-1-11(3-16(15)20)8-28-9-17(22)26-7-13-5-14(21(23)24)4-12-6-25-10-27-18(12)13/h1-5H,6-10H2