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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)propanoic acid Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)propanoic acid CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)propanoic acid IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)propanoic acid Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)propionic acid Formula: C12H14O6S MolecularWeight: 286.30096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O6S/c1-8(12(13)14)19(15,16)9-3-4-10-11(7-9)18-6-2-5-17-10/h3-4,7-8H,2,5-6H2,1H3,(H,13,14)