2-[1-(1,3-benzodioxol-5-yl)butylsulfinyl]ethanoic acid

Systemtic Name: 2-[1-(1,3-benzodioxol-5-yl)butylsulfinyl]ethanoic acid Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)butylsulfinyl]acetic acid CAS Name: 2-[1-(1,3-benzodioxol-5-yl)butylsulfinyl]acetic acid IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)butylsulfinyl]acetic acid Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)butylsulfinyl]acetic acid Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC2=C(C=C1)OCO2)S(=O)CC(=O)O

Isomeric SMILES

CCCC(C1=CC2=C(C=C1)OCO2)S(=O)CC(=O)O

InChI

InChI=1S/C13H16O5S/c1-2-3-12(19(16)7-13(14)15)9-4-5-10-11(6-9)18-8-17-10/h4-6,12H,2-3,7-8H2,1H3,(H,14,15)