2-(3-oxidanyl-4-sulfooxy-phenyl)ethanoic acid

Systemtic Name: 2-(3-oxidanyl-4-sulfooxy-phenyl)ethanoic acid Openeye Name: 2-(3-hydroxy-4-sulfooxy-phenyl)acetic acid CAS Name: 2-(3-hydroxy-4-sulfooxyphenyl)acetic acid IUPAC Name: 2-(3-hydroxy-4-sulfooxyphenyl)acetic acid Traditional Name: 2-(3-hydroxy-4-sulfoxy-phenyl)acetic acid Formula: C8H8O7S MolecularWeight: 248.20992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(=O)O)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1CC(=O)O)O)OS(=O)(=O)O

InChI

InChI=1S/C8H8O7S/c9-6-3-5(4-8(10)11)1-2-7(6)15-16(12,13)14/h1-3,9H,4H2,(H,10,11)(H,12,13,14)