(3R)-5-(1,3-benzodioxol-5-yl)-3-methyl-pentanoate

Systemtic Name: (3R)-5-(1,3-benzodioxol-5-yl)-3-methyl-pentanoate Openeye Name: (3R)-5-(1,3-benzodioxol-5-yl)-3-methyl-pentanoate CAS Name: (3R)-5-(1,3-benzodioxol-5-yl)-3-methylpentanoate IUPAC Name: (3R)-5-(1,3-benzodioxol-5-yl)-3-methylpentanoate Traditional Name: (3R)-5-(1,3-benzodioxol-5-yl)-3-methyl-valerate Formula: C13H15O4- MolecularWeight: 235.2558

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)CC(=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC2=C(C=C1)OCO2)CC(=O)[O-]

InChI

InChI=1S/C13H16O4/c1-9(6-13(14)15)2-3-10-4-5-11-12(7-10)17-8-16-11/h4-5,7,9H,2-3,6,8H2,1H3,(H,14,15)/p-1/t9-/m1/s1