6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid

Systemtic Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Openeye Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid CAS Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid IUPAC Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Traditional Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid Formula: C18H17NO8S MolecularWeight: 407.39448

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3C(=O)O)OCCO4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3C(=O)O)OCCO4)OC1

InChI

InChI=1S/C18H17NO8S/c20-18(21)12-9-16-17(27-7-6-26-16)10-13(12)19-28(22,23)11-2-3-14-15(8-11)25-5-1-4-24-14/h2-3,8-10,19H,1,4-7H2,(H,20,21)