methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)butanoate

Systemtic Name: methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)butanoate Openeye Name: methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)butanoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)butanoic acid methyl ester IUPAC Name: methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)butanoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)butyric acid methyl ester Formula: C14H18O6S MolecularWeight: 314.35412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

COC(=O)CCCS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C14H18O6S/c1-18-14(15)4-2-9-21(16,17)11-5-6-12-13(10-11)20-8-3-7-19-12/h5-6,10H,2-4,7-9H2,1H3