5-(1,3-benzodioxol-5-yl)-3-methyl-pentanoic acid

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-methyl-pentanoic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-methyl-pentanoic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-3-methylpentanoic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-methylpentanoic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-methyl-valeric acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)CC(=O)O

Isomeric SMILES

CC(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)