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

Systemtic Name: 2-(4-butoxyphenyl)-1-oxidanyl-2-oxidanylidene-ethanesulfonic acid Openeye Name: 2-(4-butoxyphenyl)-1-hydroxy-2-oxo-ethanesulfonic acid CAS Name: 2-(4-butoxyphenyl)-1-hydroxy-2-oxoethanesulfonic acid IUPAC Name: 2-(4-butoxyphenyl)-1-hydroxy-2-oxoethanesulfonic acid Traditional Name: 2-(4-butoxyphenyl)-1-hydroxy-2-keto-ethanesulfonic acid Formula: C12H16O6S MolecularWeight: 288.31684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)C(O)S(=O)(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)C(O)S(=O)(=O)O

InChI

InChI=1S/C12H16O6S/c1-2-3-8-18-10-6-4-9(5-7-10)11(13)12(14)19(15,16)17/h4-7,12,14H,2-3,8H2,1H3,(H,15,16,17)