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

Systemtic Name: (4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanyl-butanoate Openeye Name: (4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-hydroxy-butanoate CAS Name: (4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-hydroxybutanoate IUPAC Name: (4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-hydroxybutanoate Traditional Name: (4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-hydroxy-butyrate Formula: C13H15O5- MolecularWeight: 251.2552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1COC2=C(C=C(C=C2)[C@@H](CCC(=O)[O-])O)OC1

InChI

InChI=1S/C13H16O5/c14-10(3-5-13(15)16)9-2-4-11-12(8-9)18-7-1-6-17-11/h2,4,8,10,14H,1,3,5-7H2,(H,15,16)/p-1/t10-/m1/s1