ethyl 2-oxidanyl-5-sulfooxy-benzoate

Systemtic Name: ethyl 2-oxidanyl-5-sulfooxy-benzoate Openeye Name: ethyl 2-hydroxy-5-sulfooxy-benzoate CAS Name: 2-hydroxy-5-sulfooxybenzoic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-5-sulfooxybenzoate Traditional Name: 2-hydroxy-5-sulfoxy-benzoic acid ethyl ester Formula: C9H10O7S MolecularWeight: 262.2365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O7S/c1-2-15-9(11)7-5-6(3-4-8(7)10)16-17(12,13)14/h3-5,10H,2H2,1H3,(H,12,13,14)