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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)cyclobutane-1-carboxylic acid Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)cyclobutanecarboxylic acid CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-cyclobutanecarboxylic acid IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)cyclobutane-1-carboxylic acid Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)cyclobutanecarboxylic acid Formula: C14H16O6S MolecularWeight: 312.33824

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C1CC(C1)(C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C14H16O6S/c15-13(16)14(5-1-6-14)21(17,18)10-3-4-11-12(9-10)20-8-2-7-19-11/h3-4,9H,1-2,5-8H2,(H,15,16)