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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoate Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoate IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butyrate Formula: C13H15O4- MolecularWeight: 235.2558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c14-13(15)4-1-3-10-5-6-11-12(9-10)17-8-2-7-16-11/h5-6,9H,1-4,7-8H2,(H,14,15)/p-1