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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)butanoic acid Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)butanoic acid CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)butanoic acid IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)butanoic acid Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)butyric acid Formula: C13H16O6S MolecularWeight: 300.32754

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(CC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C13H16O6S/c1-9(7-13(14)15)20(16,17)10-3-4-11-12(8-10)19-6-2-5-18-11/h3-4,8-9H,2,5-7H2,1H3,(H,14,15)