5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanoate

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanoate Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanoate CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanoate IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanoate Traditional Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)valerate Formula: C14H17O4- MolecularWeight: 249.28238

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)CCCCC(=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)CCCCC(=O)[O-])OC1

InChI

InChI=1S/C14H18O4/c15-14(16)5-2-1-4-11-6-7-12-13(10-11)18-9-3-8-17-12/h6-7,10H,1-5,8-9H2,(H,15,16)/p-1