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

Systemtic Name: 2-(4-octoxyphenyl)-1-oxidanyl-2-oxidanylidene-ethanesulfonic acid Openeye Name: 1-hydroxy-2-(4-octoxyphenyl)-2-oxo-ethanesulfonic acid CAS Name: 1-hydroxy-2-(4-octoxyphenyl)-2-oxoethanesulfonic acid IUPAC Name: 1-hydroxy-2-(4-octoxyphenyl)-2-oxoethanesulfonic acid Traditional Name: 1-hydroxy-2-keto-2-(4-octoxyphenyl)ethanesulfonic acid Formula: C16H24O6S MolecularWeight: 344.42316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)C(O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)C(O)S(=O)(=O)O

InChI

InChI=1S/C16H24O6S/c1-2-3-4-5-6-7-12-22-14-10-8-13(9-11-14)15(17)16(18)23(19,20)21/h8-11,16,18H,2-7,12H2,1H3,(H,19,20,21)