1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)cyclopropane-1-carboxylic acid

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)cyclopropane-1-carboxylic acid Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)cyclopropanecarboxylic acid CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-cyclopropanecarboxylic acid IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)cyclopropane-1-carboxylic acid Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)cyclopropanecarboxylic acid Formula: C13H14O6S MolecularWeight: 298.31166

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)C3(CC3)C(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)C3(CC3)C(=O)O)OC1

InChI

InChI=1S/C13H14O6S/c14-12(15)13(4-5-13)20(16,17)9-2-3-10-11(8-9)19-7-1-6-18-10/h2-3,8H,1,4-7H2,(H,14,15)