2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfonyl]ethanoic acid

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfonyl]ethanoic acid Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfonyl]acetic acid CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]acetic acid IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]acetic acid Traditional Name: 2-(5-acetyl-2-methoxy-benzyl)sulfonylacetic acid Formula: C12H14O6S MolecularWeight: 286.30096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CS(=O)(=O)CC(=O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CS(=O)(=O)CC(=O)O

InChI

InChI=1S/C12H14O6S/c1-8(13)9-3-4-11(18-2)10(5-9)6-19(16,17)7-12(14)15/h3-5H,6-7H2,1-2H3,(H,14,15)