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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)cyclopentane-1-carboxylic acid Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)cyclopentanecarboxylic acid CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-cyclopentanecarboxylic acid IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)cyclopentane-1-carboxylic acid Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)cyclopentanecarboxylic acid Formula: C15H18O6S MolecularWeight: 326.36482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C1CCC(C1)(C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C15H18O6S/c16-14(17)15(6-1-2-7-15)22(18,19)11-4-5-12-13(10-11)21-9-3-8-20-12/h4-5,10H,1-3,6-9H2,(H,16,17)