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

Systemtic Name: (3R)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoate Openeye Name: (3R)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoate CAS Name: (3R)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoate IUPAC Name: (3R)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoate Traditional Name: (3R)-3-(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:

CC(CC(=O)[O-])C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

C[C@H](CC(=O)[O-])C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C13H16O4/c1-9(7-13(14)15)10-3-4-11-12(8-10)17-6-2-5-16-11/h3-4,8-9H,2,5-7H2,1H3,(H,14,15)/p-1/t9-/m1/s1