2-[3-(chloromethyl)-4-oxidanyl-phenyl]-2-sulfo-ethanoic acid

Systemtic Name: 2-[3-(chloromethyl)-4-oxidanyl-phenyl]-2-sulfo-ethanoic acid Openeye Name: 2-[3-(chloromethyl)-4-hydroxy-phenyl]-2-sulfo-acetic acid CAS Name: 2-[3-(chloromethyl)-4-hydroxyphenyl]-2-sulfoacetic acid IUPAC Name: 2-[3-(chloromethyl)-4-hydroxyphenyl]-2-sulfoacetic acid Traditional Name: 2-[3-(chloromethyl)-4-hydroxy-phenyl]-2-sulfo-acetic acid Formula: C9H9ClO6S MolecularWeight: 280.68216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(C(=O)O)S(=O)(=O)O)CCl)O

Isomeric SMILES

C1=CC(=C(C=C1C(C(=O)O)S(=O)(=O)O)CCl)O

InChI

InChI=1S/C9H9ClO6S/c10-4-6-3-5(1-2-7(6)11)8(9(12)13)17(14,15)16/h1-3,8,11H,4H2,(H,12,13)(H,14,15,16)