(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,7-bis(chloranyl)-6-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,7-bis(chloranyl)-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,7-dichloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3,7-dichloro-6-methoxy-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 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3,7-dichloro-6-methoxy-benzothiophene-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H13Cl2NO7S MolecularWeight: 470.28002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)Cl)Cl

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)Cl)Cl

InChI

InChI=1S/C19H13Cl2NO7S/c1-26-13-3-2-12-14(20)18(30-17(12)15(13)21)19(23)28-7-10-5-11(22(24)25)4-9-6-27-8-29-16(9)10/h2-5H,6-8H2,1H3