5-(4-ethanoylphenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-(4-ethanoylphenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-(4-acetylphenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-(4-acetylphenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-(4-acetylphenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-(4-acetylphenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Formula: C17H14O7S MolecularWeight: 362.35386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)C3=CC=C(C=C3)C(=O)C)OC(O2)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)C3=CC=C(C=C3)C(=O)C)OC(O2)C(=O)O

InChI

InChI=1S/C17H14O7S/c1-9-7-13-14(24-17(23-13)16(19)20)8-15(9)25(21,22)12-5-3-11(4-6-12)10(2)18/h3-8,17H,1-2H3,(H,19,20)