(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxidanyl-pentanoate

Systemtic Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxidanyl-pentanoate Openeye Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-pentanoate CAS Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxypentanoate IUPAC Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxypentanoate Traditional Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-valerate Formula: C13H15O5- MolecularWeight: 251.2552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)[O-])(C1=CC2=C(C=C1)OCCO2)O

Isomeric SMILES

CC[C@](CC(=O)[O-])(C1=CC2=C(C=C1)OCCO2)O

InChI

InChI=1S/C13H16O5/c1-2-13(16,8-12(14)15)9-3-4-10-11(7-9)18-6-5-17-10/h3-4,7,16H,2,5-6,8H2,1H3,(H,14,15)/p-1/t13-/m0/s1