1-oxidanyl-2-oxidanylidene-2-(4-pentoxyphenyl)ethanesulfonic acid

Systemtic Name: 1-oxidanyl-2-oxidanylidene-2-(4-pentoxyphenyl)ethanesulfonic acid Openeye Name: 1-hydroxy-2-oxo-2-(4-pentoxyphenyl)ethanesulfonic acid CAS Name: 1-hydroxy-2-oxo-2-(4-pentoxyphenyl)ethanesulfonic acid IUPAC Name: 1-hydroxy-2-oxo-2-(4-pentoxyphenyl)ethanesulfonic acid Traditional Name: 2-(4-amoxyphenyl)-1-hydroxy-2-keto-ethanesulfonic acid Formula: C13H18O6S MolecularWeight: 302.34342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)C(O)S(=O)(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)C(O)S(=O)(=O)O

InChI

InChI=1S/C13H18O6S/c1-2-3-4-9-19-11-7-5-10(6-8-11)12(14)13(15)20(16,17)18/h5-8,13,15H,2-4,9H2,1H3,(H,16,17,18)