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

Systemtic Name: methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)propanoate Openeye Name: methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)propanoate CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)propanoic acid methyl ester IUPAC Name: methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)propanoate Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)propionic acid methyl ester Formula: C13H16O6S MolecularWeight: 300.32754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O6S/c1-17-13(14)5-8-20(15,16)10-3-4-11-12(9-10)19-7-2-6-18-11/h3-4,9H,2,5-8H2,1H3