(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,6-dichlorobenzothiophene-2-carboxylate CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,6-dichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,6-dichlorobenzothiophene-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H11Cl2NO6S MolecularWeight: 440.25404

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H11Cl2NO6S/c19-11-1-2-13-14(5-11)28-17(15(13)20)18(22)26-7-10-4-12(21(23)24)3-9-6-25-8-27-16(9)10/h1-5H,6-8H2