5-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentanoic acid

Systemtic Name: 5-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentanoic acid Openeye Name: 5-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentanoic acid CAS Name: 5-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentanoic acid IUPAC Name: 5-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentanoic acid Traditional Name: 5-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)valeric acid Formula: C14H17BrO4 MolecularWeight: 329.18638

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)CCCCC(=O)O)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)CCCCC(=O)O)Br)OC1

InChI

InChI=1S/C14H17BrO4/c15-11-9-13-12(18-6-3-7-19-13)8-10(11)4-1-2-5-14(16)17/h8-9H,1-7H2,(H,16,17)