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

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

C1COC2=C(C=C(C=C2)S(=O)(=O)CCC(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)CCC(=O)O)OC1

InChI

InChI=1S/C12H14O6S/c13-12(14)4-7-19(15,16)9-2-3-10-11(8-9)18-6-1-5-17-10/h2-3,8H,1,4-7H2,(H,13,14)