2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]acetic acid CAS Name: 2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)thio]acetic acid IUPAC Name: 2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]acetic acid Traditional Name: 2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)thio]acetic acid Formula: C10H9NO6S MolecularWeight: 271.24656

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)SCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)SCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H9NO6S/c12-10(13)5-18-9-4-8-7(16-1-2-17-8)3-6(9)11(14)15/h3-4H,1-2,5H2,(H,12,13)