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

Systemtic Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-pentanoate Openeye Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-pentanoate CAS Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanoate IUPAC Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanoate Traditional Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-valerate Formula: C14H17O4- MolecularWeight: 249.28238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4/c1-9(2)11(8-14(15)16)10-3-4-12-13(7-10)18-6-5-17-12/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,15,16)/p-1/t11-/m0/s1