1-[4-ethanoyl-3,5-bis(oxidanyl)phenoxy]ethanesulfonic acid

Systemtic Name: 1-[4-ethanoyl-3,5-bis(oxidanyl)phenoxy]ethanesulfonic acid Openeye Name: 1-(4-acetyl-3,5-dihydroxy-phenoxy)ethanesulfonic acid CAS Name: 1-(4-acetyl-3,5-dihydroxyphenoxy)ethanesulfonic acid IUPAC Name: 1-(4-acetyl-3,5-dihydroxyphenoxy)ethanesulfonic acid Traditional Name: 1-(4-acetyl-3,5-dihydroxy-phenoxy)ethanesulfonic acid Formula: C10H12O7S MolecularWeight: 276.26308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(OC1=CC(=C(C(=C1)O)C(=O)C)O)S(=O)(=O)O

Isomeric SMILES

CC(OC1=CC(=C(C(=C1)O)C(=O)C)O)S(=O)(=O)O

InChI

InChI=1S/C10H12O7S/c1-5(11)10-8(12)3-7(4-9(10)13)17-6(2)18(14,15)16/h3-4,6,12-13H,1-2H3,(H,14,15,16)