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

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoate Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoate CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoate IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoate Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)butyrate Formula: C12H13O4- MolecularWeight: 221.22922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4/c1-2-9(12(13)14)8-3-4-10-11(7-8)16-6-5-15-10/h3-4,7,9H,2,5-6H2,1H3,(H,13,14)/p-1/t9-/m0/s1