2-[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylethanoic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylethanoic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylacetic acid CAS Name: 2-[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylacetic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylacetic acid Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylacetic acid Formula: C15H12O6S MolecularWeight: 320.31718

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C15H12O6S/c16-15(17)8-22(18,19)12-4-1-10(2-5-12)11-3-6-13-14(7-11)21-9-20-13/h1-7H,8-9H2,(H,16,17)