5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzene-1,3-dicarboxylic acid CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzene-1,3-dicarboxylic acid Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)isophthalic acid Formula: C16H13NO8S MolecularWeight: 379.34132

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C16H13NO8S/c18-15(19)9-5-10(16(20)21)7-11(6-9)17-26(22,23)12-1-2-13-14(8-12)25-4-3-24-13/h1-2,5-8,17H,3-4H2,(H,18,19)(H,20,21)