2-[4-(3-methylbutoxy)phenyl]-1-oxidanyl-2-oxidanylidene-ethanesulfonic acid

Systemtic Name: 2-[4-(3-methylbutoxy)phenyl]-1-oxidanyl-2-oxidanylidene-ethanesulfonic acid Openeye Name: 1-hydroxy-2-(4-isopentyloxyphenyl)-2-oxo-ethanesulfonic acid CAS Name: 1-hydroxy-2-[4-(3-methylbutoxy)phenyl]-2-oxoethanesulfonic acid IUPAC Name: 1-hydroxy-2-[4-(3-methylbutoxy)phenyl]-2-oxoethanesulfonic acid Traditional Name: 1-hydroxy-2-(4-isoamoxyphenyl)-2-keto-ethanesulfonic acid Formula: C13H18O6S MolecularWeight: 302.34342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)C(O)S(=O)(=O)O

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)C(O)S(=O)(=O)O

InChI

InChI=1S/C13H18O6S/c1-9(2)7-8-19-11-5-3-10(4-6-11)12(14)13(15)20(16,17)18/h3-6,9,13,15H,7-8H2,1-2H3,(H,16,17,18)