2-[4-acetamido-2-chloranyl-3,6-bis(oxidanyl)phenyl]ethanesulfonic acid

Systemtic Name: 2-[4-acetamido-2-chloranyl-3,6-bis(oxidanyl)phenyl]ethanesulfonic acid Openeye Name: 2-(4-acetamido-2-chloro-3,6-dihydroxy-phenyl)ethanesulfonic acid CAS Name: 2-(4-acetamido-2-chloro-3,6-dihydroxyphenyl)ethanesulfonic acid IUPAC Name: 2-(4-acetamido-2-chloro-3,6-dihydroxyphenyl)ethanesulfonic acid Traditional Name: 2-(4-acetamido-2-chloro-3,6-dihydroxy-phenyl)ethanesulfonic acid Formula: C10H12ClNO6S MolecularWeight: 309.72338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C(=C1O)Cl)CCS(=O)(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C(=C1O)Cl)CCS(=O)(=O)O)O

InChI

InChI=1S/C10H12ClNO6S/c1-5(13)12-7-4-8(14)6(9(11)10(7)15)2-3-19(16,17)18/h4,14-15H,2-3H2,1H3,(H,12,13)(H,16,17,18)