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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)ethanoic acid Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)acetic acid CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)acetic acid IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)acetic acid Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)acetic acid Formula: C11H12O6S MolecularWeight: 272.27438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O6S/c12-11(13)7-18(14,15)8-2-3-9-10(6-8)17-5-1-4-16-9/h2-3,6H,1,4-5,7H2,(H,12,13)