5-ethyl-6-(phenylsulfonyl)-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-ethyl-6-(phenylsulfonyl)-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-(benzenesulfonyl)-6-ethyl-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-(benzenesulfonyl)-6-ethyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-(benzenesulfonyl)-6-ethyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-besyl-6-ethyl-1,3-benzodioxole-2-carboxylic acid Formula: C16H14O6S MolecularWeight: 334.34376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1S(=O)(=O)C3=CC=CC=C3)OC(O2)C(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1S(=O)(=O)C3=CC=CC=C3)OC(O2)C(=O)O

InChI

InChI=1S/C16H14O6S/c1-2-10-8-12-13(22-16(21-12)15(17)18)9-14(10)23(19,20)11-6-4-3-5-7-11/h3-9,16H,2H2,1H3,(H,17,18)