2-(4-chloranyl-3-sulfo-phenyl)ethanoic acid

Systemtic Name: 2-(4-chloranyl-3-sulfo-phenyl)ethanoic acid Openeye Name: 2-(4-chloro-3-sulfo-phenyl)acetic acid CAS Name: 2-(4-chloro-3-sulfophenyl)acetic acid IUPAC Name: 2-(4-chloro-3-sulfophenyl)acetic acid Traditional Name: 2-(4-chloro-3-sulfo-phenyl)acetic acid Formula: C8H7ClO5S MolecularWeight: 250.65618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(=O)O)S(=O)(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1CC(=O)O)S(=O)(=O)O)Cl

InChI

InChI=1S/C8H7ClO5S/c9-6-2-1-5(4-8(10)11)3-7(6)15(12,13)14/h1-3H,4H2,(H,10,11)(H,12,13,14)